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Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate

2D structure
Flow Object IDfo-59f8951563ab52ce
TypeConsensus
prefLabel
Label Language
Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate en
Alt Labels
Label Language Provenance
<span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts en —
CAS Numbers 742087-49-6
EC Numbers 664-492-4
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow0525fc8f-41ab-4c5a-a5d5-e2ca2752e1b8

Properties

Predicate Value
InChIKey HTHVRYMQKDFNEZ-UHFFFAOYSA-M
InChI InChI=1S/C21H42O10S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-30-21-20(25)19(24)18(23)17(31-21)14-29-13-16(22)15-32(26,27)28;/h16-25H,2-15H2,1H3,(H,26,27,28);/q;+1/p-1
IUPAC name Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate
Molecular formula C21H41NaO10S
Molecular mass 508.606
Monoisotopic mass 508.231813
SMILES CCCCCCCCCCCCOC1OC(COCC(O)CS(=O)(=O)[O-])C(O)C(O)C1O.[Na+]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
d1e24b68… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
32622a55… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
712cd3cc… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
1740b66c… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
762d2a7b… EF 3.1 kg Environmental → Air → Unknown 2 2
fbd13e8e… EF 3.1 kg Environmental → Air → Unknown 2 2
f695b6e4… EF 3.1 kg Environmental → Ground → Agricultural 2 2
abcb2c59… EF 3.1 kg Environmental → Ground → Unknown 2 2
ad221128… EF 3.1 kg Environmental → Water → Ocean 2 2
149022f7… EF 3.1 kg Environmental → Water → Surface water 2 2
c9ffef1f… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
0525fc8f… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
0525fc8f… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
149022f7… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
149022f7… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
1740b66c… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
1740b66c… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
32622a55… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
32622a55… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
712cd3cc… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
712cd3cc… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
762d2a7b… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
762d2a7b… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
abcb2c59… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
abcb2c59… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
ad221128… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
ad221128… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
b82f90e2… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
b82f90e2… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
c9ffef1f… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
c9ffef1f… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
d1e24b68… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
d1e24b68… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
f695b6e4… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
f695b6e4… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}
fbd13e8e… altLabel — [{"@value":"<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:742087-49-6","https://commonchemistry.cas.org/detail?cas_rn=742087-49-6"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; cas=742087-49-6; added Common Chemistry CAS names as altLabel: <span class="text-smallcaps">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, sodium salts; object_uuid=fo-59f8951563ab52ce
fbd13e8e… cas_match_labels — {"742087-49-6":"exactMatch"} group_key=sodium3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate||dimension=Environmental > media=Water > water_body=Unknown; group_sources=[]; cas_sources={'742087-49-6': []}; assigned CAS labels from group consensus; object_uuid=fo-59f8951563ab52ce: {'742087-49-6': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-59f8951563ab52ce",
  "prefLabel": [
    {
      "@value": "Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate",
      "@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": "<span class=\"text-smallcaps\">D</span>-Glucopyranose, oligomeric, C<sub>10-16</sub>-alkyl glycosides, 2-hydroxy-3-sulfopropyl ethers, 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/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate"
        ]
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCCOC1OC(COCC(O)CS(=O)(=O)[O-])C(O)C(O)C1O.[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCOC1OC(COCC(O)CS(=O)(=O)[O-])C(O)C(O)C1O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C21H42O10S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-30-21-20(25)19(24)18(23)17(31-21)14-29-13-16(22)15-32(26,27)28;/h16-25H,2-15H2,1H3,(H,26,27,28);/q;+1/p-1"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Sodium 3-{[6-(dodecyloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-2-hydroxypropane-1-sulfonate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCOC1OC(COCC(O)CS(=O)(=O)[O-])C(O)C(O)C1O.[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "rdfs:label": "InChIKey",
      "@value": [
        "HTHVRYMQKDFNEZ-UHFFFAOYSA-M"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "rdkit_post_consensus",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCCCCCCCCCOC1OC(COCC(O)CS(=O)(=O)[O-])C(O)C(O)C1O.[Na+]"
        ]
      }
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