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A Mixture Of: Triphenylthiophosphate And Tertiary Butylated Phenyl Derivatives
| Flow Object ID | fo-f90c654b673cff67 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers |
192268-65-8
|
||||||
| EC Numbers |
421-820-9
|
||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 27a21c6a-24b6-44e5-9798-9ef013dce7e1 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
ATEDZYPNONNYFN-UHFFFAOYSA-N, RYYWUUFWQRZTIU-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C22H23O3PS/c1-22(2,3)18-11-10-16-21(17-18)25-26(27,23-19-12-6-4-7-13-19)24-20-14-8-5-9-15-20/h4-17H,1-3H3, InChI=1S/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)
|
| IUPAC name |
(3-tert-butylphenoxy)-diphenoxy-sulfanylidene-lambda5-phosphane, (3-tert-butylphenoxy)-diphenoxy-sulfanylidenephosphorane, (3-tert-butylphenoxy)-diphenoxy-thioxo-lambda5-phosphane, (3-tert-butylphenoxy)-diphenoxy-thioxo-phosphorane, trihydroxy(sulfanylidene)-lambda5-phosphane, trihydroxy(sulfanylidene)phosphorane, trihydroxy(thioxo)-lambda5-phosphane, trihydroxy(thioxo)phosphorane, tris(oxidanyl)-sulfanylidene-lambda5-phosphane
|
| Molecular formula |
C22H23O3PS, H3O3PS
|
| Molecular mass |
398.464
|
| Monoisotopic mass |
398.110552
|
| SMILES |
CC(C)(C)C1=CC(=CC=C1)OP(=S)(OC2=CC=CC=C2)OC3=CC=CC=C3, CC(C)(C)c1cccc(OP(=S)(Oc2ccccc2)Oc2ccccc2)c1, OP(=S)(O)O
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J293.917G
- https://commonchemistry.cas.org/detail?cas_rn=13598-51-1
- https://commonchemistry.cas.org/detail?cas_rn=192268-65-8
- https://comptox.epa.gov/dashboard/DTXSID8074948
- https://en.wikipedia.org/wiki/Thiophosphoric_acid
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TYM4M7EWCW
- https://hmdb.ca/metabolites/HMDB0256494
- https://pubchem.ncbi.nlm.nih.gov/compound/139267854
- https://pubchem.ncbi.nlm.nih.gov/compound/167254
- https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46611
- https://www.wikidata.org/wiki/Q126606930
- https://www.wikidata.org/wiki/Q2421303
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
688e2146… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
2bef981c… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
27a21c6a… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
a069b749… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
52bfc527… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
da1c47b8… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
ca8c1274… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
5c6267ff… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
31aeca7a… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
3318b00c… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
4461595e… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
27a21c6a… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
27a21c6a… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
2bef981c… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
2bef981c… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
31aeca7a… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
31aeca7a… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
3318b00c… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
3318b00c… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
4461595e… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
4461595e… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
52bfc527… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
52bfc527… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
5c6267ff… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
5c6267ff… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
6808d2f1… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
6808d2f1… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
688e2146… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
688e2146… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
a069b749… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
a069b749… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
ca8c1274… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
ca8c1274… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
da1c47b8… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
da1c47b8… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
e4a2c0c1… |
altLabel |
— |
[{"@value":"Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:192268-65-8","https://commonchemistry.cas.org/detail?cas_rn=192268-65-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=192268-65-8; added Common Chemistry CAS names as altLabel: Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu derivs.; object_uuid=fo-f90c654b673cff67 |
e4a2c0c1… |
cas_match_labels |
— |
{"192268-65-8":"exactMatch"} |
group_key=amixtureof:triphenylthiophosphateandtertiarybutylatedphenylderivatives||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=[]; cas_sources={'192268-65-8': []}; assigned CAS labels from group consensus; object_uuid=fo-f90c654b673cff67: {'192268-65-8': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-f90c654b673cff67",
"prefLabel": [
{
"@value": "A Mixture Of: Triphenylthiophosphate And Tertiary Butylated Phenyl Derivatives",
"@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": "Phosphorothioic acid, <em>O</em>,<em>O</em>,<em>O</em>-triphenyl esters, <em>tert</em>-Bu 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": [
"C22H23O3PS",
"H3O3PS"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:167254",
"CID:139267854"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=CC=C1)OP(=S)(OC2=CC=CC=C2)OC3=CC=CC=C3"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"ATEDZYPNONNYFN-UHFFFAOYSA-N",
"RYYWUUFWQRZTIU-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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"CID:139267854"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(C)(C)C1=CC(=CC=C1)OP(=S)(OC2=CC=CC=C2)OC3=CC=CC=C3"
]
}
]
},
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