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Sulfuric Acid, C12-18-alkyl(even Numbered) Esters, Sodium Salts
| Flow Object ID | fo-6e8170191de64f3e | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers |
68955-19-1
|
||||||
| EC Numbers |
273-257-1
|
||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 03634144-8169-448f-a958-30aed13d0339 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
SMECTXYFLVLAJE-UHFFFAOYSA-M
|
| InChI |
InChI=1S/C15H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1
|
| IUPAC name |
sodium pentadecyl sulfate
|
| Molecular formula |
C15H31NaO4S
|
| Molecular mass |
330.466
|
| Monoisotopic mass |
330.184075
|
| SMILES |
CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J140.572A
- https://chem.echa.europa.eu/100.033.145
- https://commonchemistry.cas.org/detail?cas_rn=68955-19-1
- https://comptox.epa.gov/dashboard/DTXSID90874030
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5M837VS6WY
- https://pubchem.ncbi.nlm.nih.gov/compound/23700089
- https://www.wikidata.org/wiki/Q81981400
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
24a6badf… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
2b3f8778… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
eb3ca636… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
a6a07262… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
3cc9c0be… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
4c27b020… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
0bdb65c4… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
1491d2ce… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
589d5e28… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
d7640cb2… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
03634144… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
03634144… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
03634144… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
0bdb65c4… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
0bdb65c4… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
1491d2ce… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
1491d2ce… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
24a6badf… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
24a6badf… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
2b3f8778… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
2b3f8778… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
3cb7b070… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
3cb7b070… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
3cc9c0be… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
3cc9c0be… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
4c27b020… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
4c27b020… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
589d5e28… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
589d5e28… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
a6a07262… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
a6a07262… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
d7640cb2… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
d7640cb2… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
d8a26400… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
d8a26400… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
eb3ca636… |
altLabel |
— |
[{"@value":"Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68955-19-1","https://commonchemistry.cas.org/detail?cas_rn=68955-19-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; cas=68955-19-1; added Common Chemistry CAS names as altLabel: Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts; object_uuid=fo-6e8170191de64f3e |
eb3ca636… |
cas_match_labels |
— |
{"68955-19-1":"exactMatch"} |
group_key=sulfuricacid,c12-18-alkyl(evennumbered)esters,sodiumsalts||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory']; cas_sources={'68955-19-1': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6e8170191de64f3e: {'68955-19-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-6e8170191de64f3e",
"prefLabel": [
{
"@value": "Sulfuric Acid, C12-18-alkyl(even Numbered) Esters, Sodium Salts",
"@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": "Sulfuric acid, mono-C<sub>12-18</sub>-alkyl esters, sodium salts",
"@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": [
"C15H31NaO4S"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23700089"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"SMECTXYFLVLAJE-UHFFFAOYSA-M"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23700089"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
],
"rdfs:label": "SMILES",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23700089"
],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"@value": [
"InChI=1S/C15H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1"
],
"rdfs:label": "InChI",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23700089"
],
"prov:wasDerivedFrom": "pubchem.props.InChI"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
}
]
},
"https://w3id.org/chemrof/IUPAC_name": {
"@id": "https://w3id.org/chemrof/IUPAC_name",
"@value": [
"sodium pentadecyl sulfate"
],
"rdfs:label": "IUPAC name",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:23700089"
],
"prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
}
},
"https://w3id.org/chemrof/molecular_mass": {
"@id": "https://w3id.org/chemrof/molecular_mass",
"rdfs:label": "Molecular mass",
"@value": [
"330.466"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
}
],
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
},
"https://w3id.org/chemrof/monoisotopic_mass": {
"@id": "https://w3id.org/chemrof/monoisotopic_mass",
"rdfs:label": "Monoisotopic mass",
"@value": [
"330.184075"
],
"provenance": [
{
"prov:wasGeneratedBy": "rdkit_pre_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]"
]
}
],
"http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
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