← Back to consensus flow objects
PCB-1260
| Flow Object ID | fo-433356b79b431c5a | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
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| Alt Labels |
|
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| CAS Numbers | 11096-82-5 | |||||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
BTAGRXWGMYTPBY-UHFFFAOYSA-N, OCDJHKGOIXIVHO-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H, InChI=1S/C19H20Cl2N4O3/c1-19(2,3)13-9-14(22-23-16(13)21)25-15(10-24(4)18(25)27)28-17(26)11-5-7-12(20)8-6-11/h5-9,15H,10H2,1-4H3
|
| IUPAC name |
1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene, 1,2,3-tris(chloranyl)-4-[2,3,4-tris(chloranyl)phenyl]benzene, 4-chlorobenzoic acid [3-(5-tert-butyl-6-chloro-3-pyridazinyl)-1-methyl-2-oxo-4-imidazolidinyl] ester, 4-chlorobenzoic acid [3-(5-tert-butyl-6-chloro-pyridazin-3-yl)-2-keto-1-methyl-imidazolidin-4-yl] ester, [3-(5-tert-butyl-6-chloranyl-pyridazin-3-yl)-1-methyl-2-oxidanylidene-imidazolidin-4-yl] 4-chloranylbenzoate, [3-(5-tert-butyl-6-chloro-pyridazin-3-yl)-1-methyl-2-oxo-imidazolidin-4-yl] 4-chlorobenzoate, [3-(5-tert-butyl-6-chloropyridazin-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] 4-chlorobenzoate
|
| Molecular formula |
C12H4Cl6, C19H20Cl2N4O3
|
| SMILES |
C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl, CC(C)(C)C1=CC(=NN=C1Cl)N2C(CN(C2=O)C)OC(=O)C3=CC=C(C=C3)Cl
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.028A
- https://chem.echa.europa.eu/100.205.551
- https://chem.echa.europa.eu/100.217.312
- https://commonchemistry.cas.org/detail?cas_rn=11096-82-5
- https://commonchemistry.cas.org/detail?cas_rn=38380-07-3
- https://comptox.epa.gov/dashboard/DTXSID50858932
- https://comptox.epa.gov/dashboard/DTXSID90908309
- https://en.wikipedia.org/wiki/2,2%27,3,3%27,4,4%27-Hexachlorobiphenyl
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PJ11O9J71Y
- https://hmdb.ca/metabolites/HMDB0248611
- https://pubchem.ncbi.nlm.nih.gov/compound/163724
- https://pubchem.ncbi.nlm.nih.gov/compound/38018
- https://pubchem.ncbi.nlm.nih.gov/erg/#2315
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3189099
- https://www.wikidata.org/wiki/Q26841006
- https://www.wikidata.org/wiki/Q82877706
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
29066265… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
e00d8bf2… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
fe0acd60… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
08a91e70… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
08a91e70… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
08a91e70… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
08a91e70… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
08a91e70… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
08a91e70… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
29066265… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
29066265… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
e00d8bf2… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
e00d8bf2… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
fe0acd60… |
altLabel |
— |
[{"@value":"Aroclor 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"PCB 1260","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:11096-82-5","https://commonchemistry.cas.org/detail?cas_rn=11096-82-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; cas=11096-82-5; added Common Chemistry CAS names as altLabel: Aroclor 1260, PCB 1260; object_uuid=fo-433356b79b431c5a |
fe0acd60… |
cas_match_labels |
— |
{"11096-82-5":"exactMatch"} |
group_key=pcb-1260||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['pubchem']; cas_sources={'11096-82-5': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-433356b79b431c5a: {'11096-82-5': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-433356b79b431c5a",
"prefLabel": [
{
"@value": "PCB-1260",
"@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": "Aroclor 1260",
"@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": "PCB 1260",
"@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": [
"C12H4Cl6",
"C19H20Cl2N4O3"
],
"rdfs:label": "Molecular formula",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:38018",
"CID:163724"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BTAGRXWGMYTPBY-UHFFFAOYSA-N",
"OCDJHKGOIXIVHO-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:38018",
"CID:163724"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl",
"CC(C)(C)C1=CC(=NN=C1Cl)N2C(CN(C2=O)C)OC(=O)C3=CC=C(C=C3)Cl"
],
"rdfs:label": "SMILES",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:38018",
"CID:163724"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
}
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H",
"InChI=1S/C19H20Cl2N4O3/c1-19(2,3)13-9-14(22-23-16(13)21)25-15(10-24(4)18(25)27)28-17(26)11-5-7-12(20)8-6-11/h5-9,15H,10H2,1-4H3"
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