← Back to consensus flow objects
Thiobis[tetrapropylenephenol]
| Flow Object ID | fo-1aba24bef50b529f | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
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| Alt Labels |
|
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| CAS Numbers | 68815-67-8 | ||||||
| EC Numbers | 272-388-1 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
CTAPWNCYJTVKDG-UHFFFAOYSA-N, MCSUKBYDOHURLJ-UHFFFAOYSA-J, TYHISQCJHIXQGU-UHFFFAOYSA-N
|
| InChI |
InChI=1S/2C14H21ClN3.4ClH.Zn/c2*1-3-5-9-18(10-6-4-2)14-8-7-12(17-16)11-13(14)15;;;;;/h2*7-8,11H,3-6,9-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4, InChI=1S/C36H42O2S/c1-15-9-23-25(15)21-7-17(3)27(21)31-29(23)35(37,33(31)11-19(33)5)13-39-14-36(38)30-24-10-16(2)26(24)22-8-18(4)28(22)32(30)34(36)12-20(34)6/h15-20,37-38H,7-14H2,1-6H3, InChI=1S/C36H58O2S/c1-3-5-7-9-11-13-15-17-19-21-23-31-29-33(37)25-27-35(31)39-36-28-26-34(38)30-32(36)24-22-20-18-16-14-12-10-8-6-4-2/h25-30,37-38H,3-24H2,1-2H3
|
| IUPAC name |
2,7',11'-trimethyl-3'-[(2,7',11'-trimethyl-3'-oxidanyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylsulfanylmethyl]spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3'-[(3'-hydroxy-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylsulfanylmethyl]-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3'-[(3'-hydroxy-2,7',11'-trimethylspiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylsulfanylmethyl]-2,7',11'-trimethylspiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3'-[[(3'-hydroxy-2,7',11'-trimethyl-3'-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]yl)methylthio]methyl]-2,7',11'-trimethyl-3'-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]ol, 3'-[[(3'-hydroxy-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-yl)methylthio]methyl]-2,7',11'-trimethyl-spiro[cyclopropane-1,4'-tetracyclo[8.2.0.02,5.06,9]dodeca-1,5,9-triene]-3'-ol, 3-dodecyl-4-(2-dodecyl-4-hydroxy-phenyl)sulfanyl-phenol, 3-dodecyl-4-(2-dodecyl-4-hydroxyphenyl)sulfanylphenol, 3-dodecyl-4-(2-dodecyl-4-oxidanyl-phenyl)sulfanyl-phenol, 3-dodecyl-4-[(2-dodecyl-4-hydroxyphenyl)thio]phenol, 4-[(4-hydroxy-2-lauryl-phenyl)thio]-3-lauryl-phenol, zinc;bis(3-chloranyl-4-(dibutylamino)benzenediazonium);tetrachloride, zinc;bis(3-chloro-4-(dibutylamino)benzenediazonium);tetrachloride
|
| Molecular formula |
C28H42Cl6N6Zn, C36H42O2S, C36H58O2S
|
| SMILES |
CC1CC2=C3C(CC3=C4C(=C12)C5(C4(CSCC6(C7=C8CC(C8=C9CC(C9=C7C61CC1C)C)C)O)O)CC5C)C, CCCCCCCCCCCCC1=C(C=CC(=C1)O)SC2=C(C=C(C=C2)O)CCCCCCCCCCCC, CCCCN(CCCC)C1=C(C=C(C=C1)[N+]#N)Cl.CCCCN(CCCC)C1=C(C=C(C=C1)[N+]#N)Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
|
References
- https://chem.echa.europa.eu/100.061.981
- https://chem.echa.europa.eu/100.065.788
- https://commonchemistry.cas.org/detail?cas_rn=68815-67-8
- https://comptox.epa.gov/dashboard/DTXSID90987457
- https://pubchem.ncbi.nlm.nih.gov/compound/106407
- https://pubchem.ncbi.nlm.nih.gov/compound/111620
- https://pubchem.ncbi.nlm.nih.gov/compound/90474867
- https://www.wikidata.org/wiki/Q126677854
- https://www.wikidata.org/wiki/Q82975705
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
ab10c027… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
f741b231… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
aca3404b… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
2ebfa85f… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
31db8bf7… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
f7b8a482… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
5ea18cdc… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
b5c0ece9… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
b9aa9e94… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
ccee6b9f… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
6c77fdb4… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
2ebfa85f… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
2ebfa85f… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
31db8bf7… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
31db8bf7… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
5ea18cdc… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
5ea18cdc… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
6c77fdb4… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
6c77fdb4… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
78d977c1… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
78d977c1… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
ab10c027… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
ab10c027… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
aca3404b… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
aca3404b… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
b5c0ece9… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
b5c0ece9… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
b9aa9e94… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
b9aa9e94… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
bdf7d06a… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
bdf7d06a… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
ccee6b9f… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
ccee6b9f… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
f741b231… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
f741b231… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
f7b8a482… |
altLabel |
— |
[{"@value":"Phenol, thiobis[tetrapropylene-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68815-67-8","https://commonchemistry.cas.org/detail?cas_rn=68815-67-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; cas=68815-67-8; added Common Chemistry CAS names as altLabel: Phenol, thiobis[tetrapropylene-; object_uuid=fo-1aba24bef50b529f |
f7b8a482… |
cas_match_labels |
— |
{"68815-67-8":"exactMatch"} |
group_key=thiobis[tetrapropylenephenol]||dimension=Environmental > media=Air > strata=High stack, >150 meters; group_sources=['ec_inventory']; cas_sources={'68815-67-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-1aba24bef50b529f: {'68815-67-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-1aba24bef50b529f",
"prefLabel": [
{
"@value": "Thiobis[tetrapropylenephenol]",
"@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": "Phenol, thiobis[tetrapropylene-",
"@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": [
"C28H42Cl6N6Zn",
"C36H42O2S",
"C36H58O2S"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:106407",
"CID:111620",
"CID:90474867"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"CTAPWNCYJTVKDG-UHFFFAOYSA-N",
"MCSUKBYDOHURLJ-UHFFFAOYSA-J",
"TYHISQCJHIXQGU-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"CID:90474867"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC1CC2=C3C(CC3=C4C(=C12)C5(C4(CSCC6(C7=C8CC(C8=C9CC(C9=C7C61CC1C)C)C)O)O)CC5C)C",
"CCCCCCCCCCCCC1=C(C=CC(=C1)O)SC2=C(C=C(C=C2)O)CCCCCCCCCCCC",
"CCCCN(CCCC)C1=C(C=C(C=C1)[N+]#N)Cl.CCCCN(CCCC)C1=C(C=C(C=C1)[N+]#N)Cl.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]"
],
"rdfs:label": "SMILES",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
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