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Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)
| Flow Object ID | fo-ff8f0672c3a64108 | ||||||
|---|---|---|---|---|---|---|---|
| Type | Consensus | ||||||
| prefLabel |
|
||||||
| Alt Labels |
|
||||||
| CAS Numbers |
56554-53-1
|
||||||
| EC Numbers |
260-257-1
|
||||||
| Changes Applied | 26 |
Provenance
| Field | Value |
|---|---|
| Resolver | hybrid_name_cas_v1 |
| Seed Source | EF 3.1 |
| Seed Flow | 07f67f26-4217-44a3-a82d-99d46782bf05 |
Properties
| Predicate | Value |
|---|---|
| InChIKey |
FOHDPKZXJXMQGV-UHFFFAOYSA-N, QNESDXMHQYMNGD-UHFFFAOYSA-N, VGCRRRJKYKKCPO-UHFFFAOYSA-N
|
| InChI |
InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3
|
| IUPAC name |
Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)
|
| Molecular formula |
C12H20O2, C13H22Cl2N4O3, C30H56O6
|
| Molecular mass |
353.25, 512.772
|
| Monoisotopic mass |
352.106896, 512.40769
|
| SMILES |
CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
|
References
- http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J111.006C
- https://chem.echa.europa.eu/100.054.762
- https://commonchemistry.cas.org/detail?cas_rn=56554-53-1
- https://comptox.epa.gov/dashboard/DTXSID10971994
- https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XF4K22WN6T
- https://pubchem.ncbi.nlm.nih.gov/compound/162760
- https://pubchem.ncbi.nlm.nih.gov/compound/90473575
- https://pubchem.ncbi.nlm.nih.gov/compound/92447
- https://www.wikidata.org/wiki/Q27293817
Linked Elementary Flows
| UUID | Source | Unit | Context | LCIA Factors | Consensus Changes |
|---|---|---|---|---|---|
2dbf3cd6… |
EF 3.1 | kg | Environmental → Air → Aircraft cruise height | 2 | 2 |
3f5dd3ea… |
EF 3.1 | kg | Environmental → Air → Ground level → Rural (<1000 people/square mile) | 0 | 2 |
b70020bf… |
EF 3.1 | kg | Environmental → Air → Ground level → Urban (>1000 people/square mile) | 2 | 2 |
6765a344… |
EF 3.1 | kg | Environmental → Air → High stack, >150 meters | 2 | 2 |
681104b5… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
fcf42ffc… |
EF 3.1 | kg | Environmental → Air → Unknown | 2 | 2 |
6d0f895e… |
EF 3.1 | kg | Environmental → Ground → Agricultural | 2 | 2 |
2ce99ad3… |
EF 3.1 | kg | Environmental → Ground → Unknown | 2 | 2 |
b3981100… |
EF 3.1 | kg | Environmental → Water → Ocean | 2 | 2 |
f19183b7… |
EF 3.1 | kg | Environmental → Water → Surface water | 2 | 2 |
07f67f26… |
EF 3.1 | kg | Environmental → Water → Unknown | 2 | 2 |
▶
Changes Applied
| Elementary Flow | Field | Old Value | New Value | Comment |
|---|---|---|---|---|
07f67f26… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
07f67f26… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
2ce99ad3… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
2ce99ad3… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
2dbf3cd6… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
2dbf3cd6… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
3f5dd3ea… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
3f5dd3ea… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
4ce99618… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
4ce99618… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
6765a344… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
6765a344… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
681104b5… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
681104b5… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
6d0f895e… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
6d0f895e… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
a11c06ae… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
a11c06ae… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
b3981100… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
b3981100… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
b70020bf… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
b70020bf… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
f19183b7… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
f19183b7… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
fcf42ffc… |
altLabel |
— |
[{"@value":"Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:56554-53-1","https://commonchemistry.cas.org/detail?cas_rn=56554-53-1"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; cas=56554-53-1; added Common Chemistry CAS names as altLabel: Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester; object_uuid=fo-ff8f0672c3a64108 |
fcf42ffc… |
cas_match_labels |
— |
{"56554-53-1":"exactMatch"} |
group_key=propane-1,2,3-triyltris(3,5,5-trimethylhexanoate)||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'56554-53-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ff8f0672c3a64108: {'56554-53-1': 'exactMatch'} |
Flow Object JSON
{
"flow_object_id": "fo-ff8f0672c3a64108",
"prefLabel": [
{
"@value": "Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)",
"@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": "Hexanoic acid, 3,5,5-trimethyl-, 1,2,3-propanetriyl ester",
"@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": [
"C12H20O2",
"C13H22Cl2N4O3",
"C30H56O6"
],
"rdfs:label": "Molecular formula",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92447",
"CID:162760",
"CID:90473575"
],
"prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_key_string": {
"@id": "https://w3id.org/chemrof/inchi2d_key_string",
"@value": [
"FOHDPKZXJXMQGV-UHFFFAOYSA-N",
"QNESDXMHQYMNGD-UHFFFAOYSA-N",
"VGCRRRJKYKKCPO-UHFFFAOYSA-N"
],
"rdfs:label": "InChIKey",
"provenance": [
{
"prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CID:92447",
"CID:162760",
"CID:90473575"
],
"prov:wasDerivedFrom": "pubchem.props.InChIKey"
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C"
]
}
]
},
"https://w3id.org/chemrof/smiles_string": {
"@id": "https://w3id.org/chemrof/smiles_string",
"rdfs:label": "SMILES",
"@value": [
"CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C"
]
}
]
},
"https://w3id.org/chemrof/inchi2d_string": {
"@id": "https://w3id.org/chemrof/inchi2d_string",
"rdfs:label": "InChI",
"@value": [
"InChI=1S/C30H56O6/c1-21(16-28(4,5)6)13-25(31)34-19-24(36-27(33)15-23(3)18-30(10,11)12)20-35-26(32)14-22(2)17-29(7,8)9/h21-24H,13-20H2,1-12H3"
],
"provenance": [
{
"prov:wasGeneratedBy": "opsin_iupac",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"Propane-1,2,3-triyl Tris(3,5,5-trimethylhexanoate)"
]
},
{
"prov:wasGeneratedBy": "rdkit_post_consensus",
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