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

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

UUID 55bbdbe6-c39e-4431-a819-f63da9817420

Flow Object ID fo-23bea637dd69af4e

Source EF 3.1

Context Environmental → Air → Unknown

CAS Numbers 247089-62-9

EC Numbers 433-930-4

prefLabel

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

altLabel ⓘ

Language	Value	Provenance
`en`	`2,5-Dihydro-3,6-bis[4-(octadecylthio)phenyl]pyrrolo[3,4-<em>c</em>]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`	`3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione`

References

Shared Properties

Predicate	Value
InChIKey	`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/h35-42,55,58H,3-34,43-44H2,1-2H3`
IUPAC name	`1,4-bis(4-octadecylsulfanylphenyl)-3-oxidanyl-2H-pyrrolo[3,4-c]pyrrol-6-one, 3-hydroxy-1,4-bis(4-octadecylsulfanylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one, 3-hydroxy-1,4-bis[4-(octadecylthio)phenyl]-2H-pyrrolo[3,4-c]pyrrol-6-one, 3-hydroxy-1,4-bis[4-(stearylthio)phenyl]-2H-pyrrolo[3,4-c]pyrrol-6-one`
Molecular formula	`C54H84N2O2S2`
SMILES	`CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=C(C=C4)SCCCCCCCCCCCCCCCCCC`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`55bbdbe6-c39e-4431-a819-f63da9817420`	3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	3,6-bis[4-(octadecylsulfanyl)phenyl]-1h,2h,4h,5h-pyrrolo[3,4-c]pyrrole-1,4-dione	Emissions/Emissions to air/Emissions to air, unspecified	kg	`exactMatch`	—

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field	Change Count	Latest Time	Transformers	Latest Comment
`altLabel`	1	`—`	consensus_match	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
`cas_match_labels`	1	`—`	consensus_match	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'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Unknown

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@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
`cas_match_labels`	`None`	`{'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'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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