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Benzene, 1,1'-oxybis-, Tetrapropylene Derivs., Sulfonated, Sodium Salts

2D structure
Flow Object IDfo-3d0fa1eac19c808f
TypeConsensus
prefLabel
Label Language
Benzene, 1,1'-oxybis-, Tetrapropylene Derivs., Sulfonated, Sodium Salts en
Alt Labels
Label Language Provenance
Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts en —
CAS Numbers 119345-04-9
EC Numbers 601-601-6
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow005e1759-f4a8-44b9-8fa7-eea0ec212c0d

Properties

Predicate Value
InChIKey FMLSWTNREBOPKP-UHFFFAOYSA-L, LGSDUNPYZWAISG-UHFFFAOYSA-N, ZIWRUEGECALFST-UHFFFAOYSA-M
InChI InChI=1S/C24H34O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(31-20-15-12-11-13-16-20)18-19-23(32(25,26)27)24(21)33(28,29)30;;/h11-13,15-16,18-19H,2-10,14,17H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2, InChI=1S/C24H34O7S2.Na/c1-2-3-4-5-6-7-8-9-10-11-20-30-33(28,29)24-18-14-22(15-19-24)31-21-12-16-23(17-13-21)32(25,26)27;/h12-19H,2-11,20H2,1H3,(H,25,26,27);/q;+1/p-1, InChI=1S/C24H34O7S2.Na/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)30-33(27,28)31-32(25,26)29-23-19-13-11-14-20-23;/h11,13-16,18-21H,2-10,12,17H2,1H3;
IUPAC name disodium;3-dodecyl-4-phenoxy-benzene-1,2-disulfonate, disodium;3-dodecyl-4-phenoxybenzene-1,2-disulfonate, disodium;3-lauryl-4-phenoxy-benzene-1,2-disulfonate, sodium 4-(4-dodecoxysulfonylphenoxy)benzenesulfonate, sodium 4-(4-lauryloxysulfonylphenoxy)besylate
Molecular formula C24H32Na2O7S2, C24H33NaO7S2, C24H34NaO7S2
Molecular mass 542.627
Monoisotopic mass 542.138484
SMILES CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+], CCCCCCCCCCCCC1=CC=CC=C1OS(=O)(=O)OS(=O)(=O)OC2=CC=CC=C2.[Na], CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+], CCCCCCCCCCCCc1c(Oc2ccccc2)ccc(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Na+].[Na+]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
005e1759… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
04bbb2ca… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
a902ab56… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
16f8a770… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
1f04ffba… EF 3.1 kg Environmental → Air → Unknown 2 2
962cecb2… EF 3.1 kg Environmental → Air → Unknown 2 2
c7de2a46… EF 3.1 kg Environmental → Ground → Agricultural 2 2
1c628086… EF 3.1 kg Environmental → Ground → Unknown 2 2
1a07fdb6… EF 3.1 kg Environmental → Water → Ocean 2 2
7b19e88b… EF 3.1 kg Environmental → Water → Surface water 2 2
0eb31899… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
005e1759… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
005e1759… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
04bbb2ca… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
04bbb2ca… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
0eb31899… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
0eb31899… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
16f8a770… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
16f8a770… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
188e6c72… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
188e6c72… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
1a07fdb6… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
1a07fdb6… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
1c628086… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
1c628086… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
1f04ffba… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
1f04ffba… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
7b19e88b… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
7b19e88b… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
8b3c7992… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
8b3c7992… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
962cecb2… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
962cecb2… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
a902ab56… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
a902ab56… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}
c7de2a46… altLabel — [{"@value":"Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:119345-04-9","https://commonchemistry.cas.org/detail?cas_rn=119345-04-9"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=119345-04-9; added Common Chemistry CAS names as altLabel: Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium salts; object_uuid=fo-3d0fa1eac19c808f
c7de2a46… cas_match_labels — {"119345-04-9":"exactMatch"} group_key=benzene,1,1'-oxybis-,tetrapropylenederivs.,sulfonated,sodiumsalts||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=[]; cas_sources={'119345-04-9': []}; assigned CAS labels from group consensus; object_uuid=fo-3d0fa1eac19c808f: {'119345-04-9': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-3d0fa1eac19c808f",
  "prefLabel": [
    {
      "@value": "Benzene, 1,1'-oxybis-, Tetrapropylene Derivs., Sulfonated, Sodium Salts",
      "@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": "Benzene, 1,1′-oxybis-, tetrapropylene derivs., sulfonated, sodium 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": [
        "C24H32Na2O7S2",
        "C24H33NaO7S2",
        "C24H34NaO7S2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:22134100",
            "CID:92041868",
            "CID:172913586"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "FMLSWTNREBOPKP-UHFFFAOYSA-L",
        "LGSDUNPYZWAISG-UHFFFAOYSA-N",
        "ZIWRUEGECALFST-UHFFFAOYSA-M"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "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": [
            "CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]",
        "CCCCCCCCCCCCC1=CC=CC=C1OS(=O)(=O)OS(=O)(=O)OC2=CC=CC=C2.[Na]",
        "CCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]",
        "CCCCCCCCCCCCc1c(Oc2ccccc2)ccc(S(=O)(=O)[O-])c1S(=O)(=O)[O-].[Na+].[Na+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCC1=C(C=CC(=C1S(=O)(=O)[O-])S(=O)(=O)[O-])OC2=CC=CC=C2.[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C24H34O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(31-20-15-12-11-13-16-20)18-19-23(32(25,26)27)24(21)33(28,29)30;;/h11-13,15-16,18-19H,2-10,14,17H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2",
        "InChI=1S/C24H34O7S2.Na/c1-2-3-4-5-6-7-8-9-10-11-20-30-33(28,29)24-18-14-22(15-19-24)31-21-12-16-23(17-13-21)32(25,26)27;/h12-19H,2-11,20H2,1H3,(H,25,26,27);/q;+1/p-1",
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