← Back to consensus flow objects
Tetrachlorophenols
| Flow Object ID | fo-9f3d1ed59f3f01d4 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers |
25167-83-3
|
|||||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 0f822eb8-49f2-4d69-8e1e-6cad978d1e73 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
RULKYXXCCZZKDZ-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H
|
| IUPAC name |
2,3,4,5-tetrachlorophenol, 2,3,4,5-tetrakis(chloranyl)phenol
|
| Molecular formula |
C6H2Cl4O
|
| Molecular mass |
231.893
|
| Monoisotopic mass |
229.885975
|
| SMILES |
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O, Oc1cc(Cl)c(Cl)c(Cl)c1Cl
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.833C
- https://chem.echa.europa.eu/100.023.210
- https://commonchemistry.cas.org/detail?cas_rn=25167-83-3
- https://comptox.epa.gov/dashboard/DTXSID0022220
- https://en.wikipedia.org/wiki/2,3,4,5-Tetrachlorophenol
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D2UW5NHW9J
- https://hmdb.ca/metabolites/HMDB0245429
- https://pubchem.ncbi.nlm.nih.gov/compound/21013
- https://pubchem.ncbi.nlm.nih.gov/erg/#2020
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132357
- https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1528479
- https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=74812
- https://www.wikidata.org/wiki/Q26840906
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
f2aa0858… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
0f822eb8… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
edc96609… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
df149bc3… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
98b5f2b8… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
9ecb1982… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
19887a99… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
c70f9c64… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
21348497… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
e812cd54… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
e699989d… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
0f822eb8… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
0f822eb8… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
157f2407… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
157f2407… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
19887a99… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
19887a99… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
21348497… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
21348497… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
98b5f2b8… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
98b5f2b8… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
9ecb1982… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
9ecb1982… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
c70f9c64… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
c70f9c64… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
df149bc3… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
df149bc3… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
e699989d… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
e699989d… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
e812cd54… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
e812cd54… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
edc96609… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
edc96609… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
f2aa0858… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
f2aa0858… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
fe5a4356… |
altLabel |
— |
[{"@value":"Phenol, tetrachloro-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Tetrachlorophenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:25167-83-3","https://commonchemistry.cas.org/detail?cas_rn=25167-83-3"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=25167-83-3; added Common Chemistry CAS names as altLabel: Phenol, tetrachloro-, Tetrachlorophenol; object_uuid=fo-9f3d1ed59f3f01d4 |
fe5a4356… |
cas_match_labels |
— |
{"25167-83-3":"exactMatch"} |
group_key=tetrachlorophenols||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'25167-83-3': []}; assigned CAS labels from group consensus; object_uuid=fo-9f3d1ed59f3f01d4: {'25167-83-3': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-9f3d1ed59f3f01d4",
"prefLabel": [
{
"@value": "Tetrachlorophenols",
"@language": "en",
"@lang": "en",
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"EF 3.1"
],
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}
}
],
"altLabel": [
{
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"provenance": {
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],
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},
{
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],
"properties": {
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"@id": "https://w3id.org/chemrof/molecular_formula",
"@value": [
"C6H2Cl4O"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"RULKYXXCCZZKDZ-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
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{
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"prov:hadPrimarySource": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O",
"Oc1cc(Cl)c(Cl)c(Cl)c1Cl"
],
"rdfs:label": "SMILES",
"provenance": [
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{
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