Consensus flow list

Identity

Type
Chemical salt
CAS
23386-52-9
EC
245-629-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AJNMWKAMLXOVJV-UHFFFAOYSA-N, UELAIMNOXLAYRW-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate
Molecular formula chemrof:molecular_formula C16H25NaO7S, C16H26NaO7S
SMILES string chemrof:smiles_string O=C(CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1.[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=23386-52-9 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86744986 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
33a976d2-5a93-4503-94ee-6a34299f0347 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
5b646f5b-f75c-4497-a8fe-3d92a0a9023b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f816603f-44b6-4afe-8e47-b863fdc54c01 Environmental → Air → Indoor EF 3.1 kg 4
76c80b52-fd06-4554-aad0-1d013a1f40b4 Environmental → Air → Long-term EF 3.1 kg 0
4dfd2040-2728-44ac-9bb8-06bf998c0325 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ae764107-e6d7-493f-a320-58c27819f8c7 Environmental → Air → Unknown EF 3.1 kg 4
9f6ebc17-1ff8-4a78-b607-ddc202556c7c Environmental → Ground → Agricultural EF 3.1 kg 4
3a2d7cb1-8939-4d20-a199-d8a19e320b03 Environmental → Ground → Non-agricultural EF 3.1 kg 4
cb6d68bc-544b-4d0d-bdf9-64a5d1fd6266 Environmental → Ground → Unknown EF 3.1 kg 4
30ae5fef-3ace-404b-9ef1-3b373168d315 Environmental → Water → Long-term EF 3.1 kg 0
8f6ef2dd-277c-4145-9b5b-61f6ff9e16a8 Environmental → Water → Ocean EF 3.1 kg 4
2896c1f4-a354-45f8-9197-1d7b78a01d11 Environmental → Water → Surface water EF 3.1 kg 4
c10fd36f-288d-4296-8f49-754a12f24776 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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      "@value": "Sodium 1,4-bis(cyclohexyloxy)-1,4-dioxobutane-2-sulfonate",
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  "altLabel": [
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      "@value": "Aerosol A 196",
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    },
    {
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    },
    {
      "@value": "Butanedioic acid, sulfo-, 1,4-dicyclohexyl ester, sodium salt",
      "@language": "en",
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    },
    {
      "@value": "Dicyclohexyl sodiosulfosuccinate",
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      "rdfs:label": "SMILES",
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        "O=C(CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-])OC1CCCCC1.[Na+]"
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C16H26O7S.Na/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13;/h12-14H,1-11H2,(H,19,20,21);/q;+1/p-1"
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}

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