← Back to consensus flow objects

2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-c]pyrrole-1,4-dione

2D structure
Flow Object IDfo-23bea637dd69af4e
TypeConsensus
prefLabel
Label Language
2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-c]pyrrole-1,4-dione en
Alt Labels
Label Language Provenance
2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione en
3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione en
Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]- en
CAS Numbers 247089-62-9
EC Numbers 433-930-4
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0ffe4e0f-651b-4052-b24f-12cebb4320e7

Properties

Predicate Value
InChIKey FOTPMSCWVSZTND-UHFFFAOYSA-N, OECIMFUOKDGJQO-UHFFFAOYSA-N
InChI InChI=1S/C54H84N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-59-47-39-35-45(36-40-47)51-49-50(54(58)55-51)52(56-53(49)57)46-37-41-48(42-38-46)60-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43-44H2,1-2H3,(H,55,58)(H,56,57)
IUPAC name 3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione
Molecular formula C54H84N2O2S2
Molecular mass 857.412
Monoisotopic mass 856.597422
SMILES CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
efdbcb3e… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
0ffe4e0f… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
86aed947… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
5a4a1463… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
55bbdbe6… EF 3.1 kg Environmental → Air → Unknown 2 2
60a13fb4… EF 3.1 kg Environmental → Air → Unknown 2 2
79435af6… EF 3.1 kg Environmental → Ground → Agricultural 2 2
29b95aa0… EF 3.1 kg Environmental → Ground → Unknown 2 2
b1b975dc… EF 3.1 kg Environmental → Water → Ocean 2 2
7f0ee008… EF 3.1 kg Environmental → Water → Surface water 2 2
dd1d2b93… EF 3.1 kg Environmental → Water → Unknown 2 2

Changes Applied

Elementary Flow Field Old Value New Value Comment
0ffe4e0f… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
0ffe4e0f… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
29b95aa0… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
29b95aa0… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
3afc4a27… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
3afc4a27… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
55bbdbe6… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
55bbdbe6… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
5a4a1463… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
5a4a1463… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
60a13fb4… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
60a13fb4… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
79435af6… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
79435af6… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
7f0ee008… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
7f0ee008… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
86aed947… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
86aed947… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
9ab076ad… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
9ab076ad… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
b1b975dc… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
b1b975dc… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
dd1d2b93… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
dd1d2b93… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}
efdbcb3e… altLabel [{"@value":"2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:247089-62-9","https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=247089-62-9; added Common Chemistry CAS names as altLabel: 2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-; object_uuid=fo-23bea637dd69af4e
efdbcb3e… cas_match_labels {"247089-62-9":"exactMatch"} group_key=3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'247089-62-9': []}; assigned CAS labels from group consensus; object_uuid=fo-23bea637dd69af4e: {'247089-62-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-23bea637dd69af4e",
  "prefLabel": [
    {
      "@value": "2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-c]pyrrole-1,4-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Pyrrolo[3,4-<em>c</em>]pyrrole-1,4-dione, 2,5-dihydro-3,6-bis[4-(octadecylthio)phenyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C54H84N2O2S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:135565960"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FOTPMSCWVSZTND-UHFFFAOYSA-N",
        "OECIMFUOKDGJQO-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:135565960"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C54H84N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-59-47-39-35-45(36-40-47)51-49-50(54(58)55-51)52(56-53(49)57)46-37-41-48(42-38-46)60-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43-44H2,1-2H3,(H,55,58)(H,56,57)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        "857.412"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)SCCCCCCCCCCCCCCCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        "856.597422"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)SCCCCCCCCCCCCCCCCCC"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCCSc1ccc(C2=C3C(=O)NC(c4ccc(SCCCCCCCCCCCCCCCCCC)cc4)=C3C(=O)N2)cc1"
          ]
        }
      ],
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.797.232D",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:135565960;CAS:247089-62-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[247089-62-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.103.217",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:135565960;CAS:247089-62-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[247089-62-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=247089-62-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "247089-62-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID2074902",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:135565960;CAS:247089-62-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[247089-62-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UE8I077QZ1",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:135565960;CAS:247089-62-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[247089-62-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/135565960",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:135565960;CAS:247089-62-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[247089-62-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126674313",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:135565960;CAS:247089-62-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[247089-62-9]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0ffe4e0f-651b-4052-b24f-12cebb4320e7",
    "seed_source": "EF 3.1"
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "247089-62-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"
      ],
      "skos:exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=247089-62-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "433-930-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=433-930-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null
}