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Phosphorodithioic Acid, Mixed O,o-bis(iso-bu And Pentyl) Esters, Zinc Salts
| Flow Object ID | fo-3f264deae13f9a33 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers |
68457-79-4
|
||||||
| EC Numbers |
270-608-0
|
||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 2a19d4a3-383c-4c69-9401-c7b833481da1 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
CFGBPGNQMWYJPH-UHFFFAOYSA-L
|
| InChI |
InChI=1S/2C8H19O2PS2.Zn/c2*1-7(2)5-9-11(12,13)10-6-8(3)4;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2
|
| IUPAC name |
zinc bis(bis(2-methylpropoxy)-sulfanidyl-sulfanylidene-lambda5-phosphane), zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfido-lambda5-phosphane), zinc bis(bis(2-methylpropoxy)-sulfanylidene-sulfidophosphorane), zinc bis(diisobutoxy-sulfido-thioxo-lambda5-phosphane), zinc bis(diisobutoxy-sulfido-thioxo-phosphorane)
|
| Molecular formula |
C16H36O4P2S4Zn
|
| Molecular mass |
548.066
|
| Monoisotopic mass |
546.026309
|
| SMILES |
CC(C)COP(=S)(OCC(C)C)[S-].CC(C)COP(=S)(OCC(C)C)[S-].[Zn+2], CC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C.[Zn+2]
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J297.821K
- https://chem.echa.europa.eu/100.022.672
- https://chem.echa.europa.eu/100.064.169
- https://commonchemistry.cas.org/detail?cas_rn=4563-55-7
- https://commonchemistry.cas.org/detail?cas_rn=68457-79-4
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4SSF9XD09V
- https://pubchem.ncbi.nlm.nih.gov/compound/21282375
- https://www.wikidata.org/wiki/Q126604841
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
63904670… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
73aa0619… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
2a19d4a3… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
c191b0d3… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
9bf85a40… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
ff542503… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
8164abc9… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
8d0ba516… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
768b35b8… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
c80e2d68… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
730e69a9… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
2a19d4a3… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
2a19d4a3… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
2b0c1e87… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
2b0c1e87… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
63904670… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
63904670… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
730e69a9… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
730e69a9… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
73aa0619… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
73aa0619… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
768b35b8… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
768b35b8… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
8164abc9… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
8164abc9… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
8d0ba516… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
8d0ba516… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
8ea889d9… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
8ea889d9… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
9bf85a40… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
9bf85a40… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
c191b0d3… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
c191b0d3… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
c80e2d68… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
c80e2d68… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
ff542503… |
altLabel |
— |
[{"@value":"Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68457-79-4","https://commonchemistry.cas.org/detail?cas_rn=68457-79-4"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=68457-79-4; added Common Chemistry CAS names as altLabel: Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc salts; object_uuid=fo-3f264deae13f9a33 |
ff542503… |
cas_match_labels |
— |
{"68457-79-4":"exactMatch"} |
group_key=phosphorodithioicacid,mixedo,o-bis(iso-buandpentyl)esters,zincsalts||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'68457-79-4': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-3f264deae13f9a33: {'68457-79-4': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-3f264deae13f9a33",
"prefLabel": [
{
"@value": "Phosphorodithioic Acid, Mixed O,o-bis(iso-bu And Pentyl) Esters, Zinc Salts",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "prefLabel"
}
}
],
"altLabel": [
{
"@value": "Phosphorodithioic acid, mixed <em>O</em>,<em>O</em>-bis(iso-Bu and pentyl) esters, zinc 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": [
"C16H36O4P2S4Zn"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:21282375"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)COP(=S)(OCC(C)C)[S-].CC(C)COP(=S)(OCC(C)C)[S-].[Zn+2]"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"CFGBPGNQMWYJPH-UHFFFAOYSA-L"
],
"rdfs:label": "InChIKey",
"provenance": [
{
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)COP(=S)(OCC(C)C)[S-].CC(C)COP(=S)(OCC(C)C)[S-].[Zn+2]"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)COP(=S)(OCC(C)C)[S-].CC(C)COP(=S)(OCC(C)C)[S-].[Zn+2]",
"CC(C)COP(=S)([S-])OCC(C)C.CC(C)COP(=S)([S-])OCC(C)C.[Zn+2]"
],
"rdfs:label": "SMILES",
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