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Methane Disulfonic Acid Disodium Salt

fo-360d11f3a0d970d6

Identity

Type
Chemical salt
CAS
5799-70-2
EC
406-440-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Methane Disulfonic Acid Disodium Salt

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YXMXTATWKFYBSA-UHFFFAOYSA-N, ZZTMMVAAULUFCS-UHFFFAOYSA-L
InChI2D string chemrof:inchi2d_string InChI=1S/CH4O6S2.2Na/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;/q;2*+1/p-2
IUPAC name chemrof:IUPAC_name Methane Disulfonic Acid Disodium Salt
Molecular formula chemrof:molecular_formula CH2Na2O6S2, CH4Na2O6S2
SMILES string chemrof:smiles_string O=S(=O)([O-])CS(=O)(=O)[O-].[Na+].[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=5799-70-2 enrich_references.consensus_cas_link
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/88359001 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
eb8434eb-b3f6-48b3-81a1-9d55301a4244 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
35629e70-e52d-4108-bd34-7cb40797c941 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
00846a41-d642-4c3b-8ab8-da628980cf3f Environmental → Air → Indoor EF 3.1 kg 4
c6728266-19de-4dce-ba18-724a39a6a006 Environmental → Air → Long-term EF 3.1 kg 0
1c1fc0a4-6a78-4560-8e6f-756a85a51e7a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
18278f83-7deb-403f-bd16-3dd9f32f3844 Environmental → Air → Unknown EF 3.1 kg 4
d312cb7c-d38e-4c5a-988f-adddfcb78ecf Environmental → Ground → Agricultural EF 3.1 kg 4
f1d3deb7-8c67-4008-b782-710ac40bcc44 Environmental → Ground → Non-agricultural EF 3.1 kg 4
070ed964-1cb1-4650-800f-031b0d0ec639 Environmental → Ground → Unknown EF 3.1 kg 4
96931742-5949-4be6-89fe-7806c657660d Environmental → Water → Long-term EF 3.1 kg 0
ee95ec1c-76fc-41d5-a34d-7576addc2ddf Environmental → Water → Ocean EF 3.1 kg 4
cacbe94f-cd59-40c2-8384-d19b2770577d Environmental → Water → Surface water EF 3.1 kg 4
e5516f25-ff19-44e0-b39c-60f2ce512124 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-360d11f3a0d970d6",
  "prefLabel": [
    {
      "@value": "Methane Disulfonic Acid Disodium Salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Disodium methanedisulfonate",
      "@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=5799-70-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanedisulfonic acid, disodium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methanedisulfonic acid, sodium salt (1:2)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=5799-70-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "CH2Na2O6S2",
        "CH4Na2O6S2"
      ],
      "attested_by": {
        "CH4Na2O6S2": [
          "enrich_references.pubchem_semantic"
        ],
        "CH2Na2O6S2": [
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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          ]
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      },
      "rdfs:label": "InChIKey",
      "provenance": [
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          "prov:hadPrimarySource": [
            "O=S(=O)([O-])CS(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=S(=O)([O-])CS(=O)(=O)[O-].[Na+].[Na+]"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)([O-])CS(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "O=S(=O)([O-])CS(=O)(=O)[O-].[Na+].[Na+]": [
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/CH4O6S2.2Na/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;/q;2*+1/p-2"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Methane Disulfonic Acid Disodium Salt"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=S(=O)([O-])CS(=O)(=O)[O-].[Na+].[Na+]"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/CH4O6S2.2Na/c2-8(3,4)1-9(5,6)7;;/h1H2,(H,2,3,4)(H,5,6,7);;/q;2*+1/p-2": [
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          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Methane Disulfonic Acid Disodium Salt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Methane Disulfonic Acid Disodium Salt"
        ]
      },
      "attested_by": {
        "Methane Disulfonic Acid Disodium Salt": [
          "opsin_iupac"
        ]
      }
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=5799-70-2",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/88359001",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:88359001;CAS:5799-70-2"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[5799-70-2]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "00846a41-d642-4c3b-8ab8-da628980cf3f",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/ChemicalSalt"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.multi_component_ionic"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "5799-70-2"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=5799-70-2"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=5799-70-2"
        }
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "406-440-3"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=406-440-3"
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/ChemicalSalt"
  ]
}

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