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Benzoic Acid, 2-hydroxy-, Mono-c14-18-alkyl Derivs., Calcium Salts (2:1)

Flow Object IDfo-c39b4e2ce3d791c9
TypeConsensus
prefLabel
Label Language
Benzoic Acid, 2-hydroxy-, Mono-c14-18-alkyl Derivs., Calcium Salts (2:1) en
Alt Labels
Label Language Provenance
Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1) en —
CAS Numbers114959-46-5
EC Numbers931-276-9
Changes Applied26

Properties

Predicate Value
InChIKey RPEMQNHWDRJDHW-UHFFFAOYSA-N, XLBQLQDIUSXFDG-UHFFFAOYSA-M
InChI InChI=1S/C22H36O3.Ca.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21(19)23)22(24)25;;/h15,17-18,23H,2-14,16H2,1H3,(H,24,25);;/q;+2;-1/p-1, InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(22(20)24)23(25)26/h16,18-19,24H,2-15,17H2,1H3,(H,25,26)
IUPAC name 3-cetyl-2-hydroxy-benzoic acid, 3-hexadecyl-2-hydroxy-benzoic acid, 3-hexadecyl-2-hydroxybenzoic acid, 3-hexadecyl-2-oxidanyl-benzoic acid, calcium;hydride;2-hydroxy-3-pentadecyl-benzoate, calcium;hydride;2-hydroxy-3-pentadecylbenzoate, calcium;hydride;2-oxidanyl-3-pentadecyl-benzoate
Molecular formula C22H36CaO3, C23H38O3
SMILES CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(=O)O)O, [H-].CCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(=O)[O-])O.[Ca+2]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
6f809b87… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
0b0a40c6… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
6b52ae8e… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
ca34e045… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
161f8193… EF 3.1 kg Environmental → Air → Unknown 4 2
dd3e3fca… EF 3.1 kg Environmental → Air → Unknown 4 2
ff4761e9… EF 3.1 kg Environmental → Ground → Agricultural 4 2
2b906786… EF 3.1 kg Environmental → Ground → Unknown 4 2
3007877b… EF 3.1 kg Environmental → Water → Ocean 4 2
cd41f435… EF 3.1 kg Environmental → Water → Surface water 4 2
2fc9dd70… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0b0a40c6… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
0b0a40c6… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
1363ec25… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
1363ec25… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
161f8193… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
161f8193… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
2b906786… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
2b906786… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
2fc9dd70… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
2fc9dd70… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
3007877b… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
3007877b… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
6b52ae8e… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
6b52ae8e… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
6f809b87… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
6f809b87… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
a77e409a… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
a77e409a… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
ca34e045… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
ca34e045… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
cd41f435… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
cd41f435… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
dd3e3fca… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
dd3e3fca… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}
ff4761e9… altLabel — [{"@value":"Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:114959-46-5","https://commonchemistry.cas.org/detail?cas_rn=114959-46-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=114959-46-5; added Common Chemistry CAS names as altLabel: Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1); object_uuid=fo-c39b4e2ce3d791c9
ff4761e9… cas_match_labels — {"114959-46-5":"exactMatch"} group_key=benzoicacid,2-hydroxy-,mono-c14-18-alkylderivs.,calciumsalts(2:1)||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=[]; cas_sources={'114959-46-5': []}; assigned CAS labels from group consensus; object_uuid=fo-c39b4e2ce3d791c9: {'114959-46-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-c39b4e2ce3d791c9",
  "prefLabel": [
    {
      "@value": "Benzoic Acid, 2-hydroxy-, Mono-c14-18-alkyl Derivs., Calcium Salts (2:1)",
      "@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": "Benzoic acid, 2-hydroxy-, mono-C<sub>14-18</sub>-alkyl derivs., calcium salts (2:1)",
      "@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": [
        "C22H36CaO3",
        "C23H38O3"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3086561",
          "CID:20849321"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "RPEMQNHWDRJDHW-UHFFFAOYSA-N",
        "XLBQLQDIUSXFDG-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3086561",
          "CID:20849321"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(=O)O)O",
        "[H-].CCCCCCCCCCCCCCCC1=C(C(=CC=C1)C(=O)[O-])O.[Ca+2]"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3086561",
          "CID:20849321"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C22H36O3.Ca.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21(19)23)22(24)25;;/h15,17-18,23H,2-14,16H2,1H3,(H,24,25);;/q;+2;-1/p-1",
        "InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(22(20)24)23(25)26/h16,18-19,24H,2-15,17H2,1H3,(H,25,26)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3086561",
          "CID:20849321"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "3-cetyl-2-hydroxy-benzoic acid",
        "3-hexadecyl-2-hydroxy-benzoic acid",
        "3-hexadecyl-2-hydroxybenzoic acid",
        "3-hexadecyl-2-oxidanyl-benzoic acid",
        "calcium;hydride;2-hydroxy-3-pentadecyl-benzoate",
        "calcium;hydride;2-hydroxy-3-pentadecylbenzoate",
        "calcium;hydride;2-oxidanyl-3-pentadecyl-benzoate"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:3086561",
          "CID:20849321"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
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