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4-(4,6,8-Trimethyl-3-nonanyl)benzenesulfonic acid
| Flow Object ID | fo-5b718d21d3d5de67 | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Type | Consensus | |||||||||
| prefLabel |
|
|||||||||
| Alt Labels |
|
|||||||||
| CAS Numbers |
68608-88-8
|
|||||||||
| EC Numbers |
271-807-5
|
|||||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 25630f48-f843-4ce2-ae06-127d97374f92 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
IMRAQEPVUVPOHG-UHFFFAOYSA-N, SRIYDGQCJPZPPK-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)
|
| IUPAC name |
4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid
|
| Molecular formula |
C18H30O3S
|
| Molecular mass |
326.502
|
| Monoisotopic mass |
326.191566
|
| SMILES |
CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1
|
References
- https://commonchemistry.cas.org/detail?cas_rn=68608-88-8
- https://comptox.epa.gov/dashboard/DTXSID7058674
- https://pubchem.ncbi.nlm.nih.gov/compound/24180689
- https://www.wikidata.org/wiki/Q81976900
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
a95506ce… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
788bf031… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
afcc6a73… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
c5aa8f36… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
25630f48… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
621f8f37… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
d3346a72… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
65bd6f1d… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
5e21a342… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
9f6d291e… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
4052e47d… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
25630f48… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
25630f48… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
4052e47d… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
4052e47d… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
5e21a342… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
5e21a342… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
621f8f37… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
621f8f37… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
65bd6f1d… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
65bd6f1d… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
788bf031… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
788bf031… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
9f6d291e… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
9f6d291e… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
a95506ce… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
a95506ce… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
afcc6a73… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
afcc6a73… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
c5aa8f36… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
c5aa8f36… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
c750a46b… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
c750a46b… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
d3346a72… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
d3346a72… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
d6f34c4e… |
altLabel |
— |
[{"@value":"Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68608-88-8","https://commonchemistry.cas.org/detail?cas_rn=68608-88-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; cas=68608-88-8; added Common Chemistry CAS names as altLabel: Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.; object_uuid=fo-5b718d21d3d5de67 |
d6f34c4e… |
cas_match_labels |
— |
{"68608-88-8":"exactMatch"} |
group_key=4-(1,3,5,7-tetramethyloctyl)benzenesulfonicacid||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory']; cas_sources={'68608-88-8': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-5b718d21d3d5de67: {'68608-88-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-5b718d21d3d5de67",
"prefLabel": [
{
"@value": "4-(4,6,8-Trimethyl-3-nonanyl)benzenesulfonic acid",
"@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": "4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid",
"@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": "Benzenesulfonic acid, mono-C<sub>11-13</sub>-branched alkyl derivs.",
"@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": [
"C18H30O3S"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24180689"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"IMRAQEPVUVPOHG-UHFFFAOYSA-N",
"SRIYDGQCJPZPPK-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:24180689"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"rdfs:label": "IUPAC name",
"@value": [
"4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
],
"provenance": {
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"4-(1,3,5,7-tetramethyloctyl)benzenesulfonic Acid"
]
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
"326.502"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCC(C1=CC=C(C=C1)S(=O)(=O)O)C(C)CC(C)CC(C)C"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)CC(C)CC(C)CC(C)c1ccc(S(=O)(=O)O)cc1"
]
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