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Reaction Product Of 2,4-di (tert-butyl)phenol, Phosphorous Trichloride And Biphenyl
| Flow Object ID | fo-8fd7ca4877456516 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers | 119345-01-6 | ||||||
| EC Numbers | 432-130-2 | ||||||
| Changes Applied | 26 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
BEIOEBMXPVYLRY-UHFFFAOYSA-N, ZFUOUGCLKHYEIY-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C14H22O.C12H10.Cl3P/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2)3/h7-9,15H,1-6H3;1-10H;, InChI=1S/C68H92O4P2/c1-61(2,3)47-29-37-57(53(41-47)65(13,14)15)69-73(70-58-38-30-48(62(4,5)6)42-54(58)66(16,17)18)51-33-25-45(26-34-51)46-27-35-52(36-28-46)74(71-59-39-31-49(63(7,8)9)43-55(59)67(19,20)21)72-60-40-32-50(64(10,11)12)44-56(60)68(22,23)24/h25-44H,1-24H3
|
| IUPAC name |
1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphane, 1,1'-biphenyl;2,4-ditert-butylphenol;trichlorophosphine, 1,1'-biphenyl;2,4-ditert-butylphenol;tris(chloranyl)phosphane, [4-[4-bis(2,4-ditert-butylphenoxy)phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane, [4-[4-bis(2,4-ditert-butylphenoxy)phosphinophenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphine, biphenyl;2,4-ditert-butylphenol;trichlorophosphane, biphenyl;2,4-ditert-butylphenol;trichlorophosphine
|
| Molecular formula |
C26H32Cl3OP, C68H92O4P2
|
| SMILES |
CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl, CC(C)(C)C1=CC(=C(C=C1)OP(C2=CC=C(C=C2)C3=CC=C(C=C3)P(OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)OC6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J292.887F
- https://chem.echa.europa.eu/100.049.108
- https://chem.echa.europa.eu/100.103.039
- https://commonchemistry.cas.org/detail?cas_rn=119345-01-6
- https://comptox.epa.gov/dashboard/DTXSID10894018
- https://pubchem.ncbi.nlm.nih.gov/compound/159495
- https://pubchem.ncbi.nlm.nih.gov/compound/93207
- https://www.wikidata.org/wiki/Q72507268
- https://www.wikidata.org/wiki/Q72507271
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
b5702ab1… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 4 | 2 |
61d17773… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
bcf0fbf2… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 4 | 2 |
f9a607fa… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 4 | 2 |
25f75bf0… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
2733348f… |
EF 3.1 | kg | Environmental → Air → Unknown | 4 | 2 |
97ad5b00… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 4 | 2 |
28483243… |
EF 3.1 | kg | Environmental → Ground → Unknown | 4 | 2 |
75934074… |
EF 3.1 | kg | Environmental → Water → Ocean | 4 | 2 |
4c5d9e85… |
EF 3.1 | kg | Environmental → Water → Surface water | 4 | 2 |
c051eb32… |
EF 3.1 | kg | Environmental → Water → Unknown | 4 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
25f75bf0… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
25f75bf0… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
2733348f… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
2733348f… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
28483243… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
28483243… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
4c5d9e85… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
4c5d9e85… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
61d17773… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
61d17773… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
75934074… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
75934074… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
7b2e8c07… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
7b2e8c07… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
97ad5b00… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
97ad5b00… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
9b7d1d43… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
9b7d1d43… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
b5702ab1… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
b5702ab1… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
bcf0fbf2… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
bcf0fbf2… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
c051eb32… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
c051eb32… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
f9a607fa… |
altLabel |
— |
[{"@value":"Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-01-6","https://commonchemistry.cas.org/detail?cas_rn=119345-01-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; cas=119345-01-6; added Common Chemistry CAS names as altLabel: Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol; object_uuid=fo-8fd7ca4877456516 |
f9a607fa… |
cas_match_labels |
— |
{"119345-01-6":"exactMatch"} |
group_key=reactionproductof2,4-di(tert-butyl)phenol,phosphoroustrichlorideandbiphenyl||dimension=Environmental > media=Air > strata=Unknown; group_sources=[]; cas_sources={'119345-01-6': []}; assigned CAS labels from group consensus; object_uuid=fo-8fd7ca4877456516: {'119345-01-6': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-8fd7ca4877456516",
"prefLabel": [
{
"@value": "Reaction Product Of 2,4-di (tert-butyl)phenol, Phosphorous Trichloride And Biphenyl",
"@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": "Phosphorous trichloride, reaction products with 1,1′-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol",
"@language": "en",
"@lang": "en",
"provenance": {
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"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": [
"C26H32Cl3OP",
"C68H92O4P2"
],
"rdfs:label": "Molecular formula",
"provenance": {
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"CID:159495"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
}
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"BEIOEBMXPVYLRY-UHFFFAOYSA-N",
"ZFUOUGCLKHYEIY-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": {
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"prov:hadPrimarySource": [
"CID:93207",
"CID:159495"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
}
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"@value": [
"CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C.C1=CC=C(C=C1)C2=CC=CC=C2.P(Cl)(Cl)Cl",
"CC(C)(C)C1=CC(=C(C=C1)OP(C2=CC=C(C=C2)C3=CC=C(C=C3)P(OC4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)OC6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C"
],
"rdfs:label": "SMILES",
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "pubchem.props.SMILES"
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},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
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