Consensus flow list

Identity

Type
Chemical salt
CAS
7381-01-3
EC
230-949-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Sodium 2-(dodecanoyloxy)ethanesulfonate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ASWMWKKTSMFBCL-UHFFFAOYSA-N, BRMSVEGRHOZCAM-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 2-(dodecanoyloxy)ethanesulfonate
Molecular formula chemrof:molecular_formula C14H27NaO5S, C14H28NaO5S
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]

Known URLs

2

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7381-01-3 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87732187 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
59051ce4-7929-4c2c-b140-56db4e46203a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
669c45bd-c0c8-48ae-be95-c1570fe5e82b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
21eb508f-bfe8-45c1-b39e-1d8b357e24d2 Environmental → Air → Indoor EF 3.1 kg 2
079384d2-4e7d-4bb3-8fec-edc290f0cd92 Environmental → Air → Long-term EF 3.1 kg 0
56d4867a-1f60-4318-a6a4-b10db226693d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1889bfc3-2ab2-4e53-924d-6d7f18baade0 Environmental → Air → Unknown EF 3.1 kg 2
b07a4b5c-dddf-490b-925d-05e5d1391720 Environmental → Ground → Agricultural EF 3.1 kg 2
b42f82c7-78d9-4715-8543-c7626811a6fa Environmental → Ground → Non-agricultural EF 3.1 kg 2
09afeb2a-0cf2-4324-adb8-1075283ad656 Environmental → Ground → Unknown EF 3.1 kg 2
8ccf0c47-e8aa-42a2-bbb3-937ec6d1d48a Environmental → Water → Long-term EF 3.1 kg 0
424f7b7c-bc35-4982-943c-e751171ab6d8 Environmental → Water → Ocean EF 3.1 kg 2
6c09e33d-3c26-457a-afed-4a29c60d1f35 Environmental → Water → Surface water EF 3.1 kg 2
e54b41af-b667-4969-9466-416be315136d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a92e9ed76ab16cb4",
  "prefLabel": [
    {
      "@value": "Sodium 2-(dodecanoyloxy)ethanesulfonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Sulfoethyl dodecanoate sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7381-01-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Sulfoethyl laurate sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=7381-01-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecanoic acid, 2-sulfoethyl ester, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=7381-01-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dodecanoic acid, 2-sulfoethyl ester, sodium salt (1:1)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethanesulfonic acid, 2-hydroxy-, laurate, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    },
    {
      "@value": "Igepon A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Lauric acid isethionate sodium salt ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lauric acid, ester with 2-hydroxyethanesulfonic acid, sodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=7381-01-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium 2-sulfoethyl laurate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sodium Lauroylisethionate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@value": [
        "C14H27NaO5S",
        "C14H28NaO5S"
      ],
      "attested_by": {
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          "enrich_references.pubchem_semantic"
        ],
        "C14H27NaO5S": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]"
          ]
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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        "ASWMWKKTSMFBCL-UHFFFAOYSA-N",
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        "BRMSVEGRHOZCAM-UHFFFAOYSA-M": [
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        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]"
      ],
      "provenance": [
        {
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        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "CCCCCCCCCCCC(=O)OCCS(=O)(=O)[O-].[Na+]": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(15)19-12-13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1"
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          ]
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  ],
  "created_from": {
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    "seed_uuid": "079384d2-4e7d-4bb3-8fec-edc290f0cd92",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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  "parent_intervention_id": null,
  "@type": [
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}

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