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Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate

fo-59b76c9158cec543

Identity

Type
Chemical salt
CAS
29857-13-4
EC
249-894-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XXIOSJPZBMCGGL-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C24H46O7S.Na/c1-20(2)15-11-7-5-9-13-17-30-23(25)19-22(32(27,28)29)24(26)31-18-14-10-6-8-12-16-21(3)4;/h20-22H,5-19H2,1-4H3,(H,27,28,29);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 1,4-bis[(8-methylnonyl)oxy]-1,4-dioxobutane-2-sulfonate
Molecular formula chemrof:molecular_formula C24H45NaO7S
Molecular mass chemrof:molecular_mass 500.674
Monoisotopic mass chemrof:monoisotopic_mass 500.278369
SMILES string chemrof:smiles_string CC(C)CCCCCCCOC(=O)CC(C(=O)OCCCCCCCC(C)C)S(=O)(=O)[O-].[Na+]

Known URLs

6

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=29857-13-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.343 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50904367 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J286.973J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23688938 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81988168 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eacaae88-da6f-4990-a9a8-260f0eb58c10 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fdf23196-59f1-492b-8be2-c53074aa8677 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
814b3ac2-30b7-47ba-a6d7-c95f7ef4c50a Environmental → Air → Indoor EF 3.1 kg 4
7192c337-ae33-4db6-949b-cf6805f53538 Environmental → Air → Long-term EF 3.1 kg 0
d2de327c-f4f6-42aa-9417-1d9c6ec9ebcc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b914fd00-8601-40c7-8dfa-6efa1ebf3da9 Environmental → Air → Unknown EF 3.1 kg 4
782c2c5d-d48a-4f79-ad0d-c47656bee41e Environmental → Ground → Agricultural EF 3.1 kg 4
000ebad3-f97a-459c-8832-2aa895d0b0c1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
b8c9f89c-07f2-4cb2-abc0-a784bfc5e82a Environmental → Ground → Unknown EF 3.1 kg 4
f5605991-fe63-49ed-aabb-0e396d9120a1 Environmental → Water → Long-term EF 3.1 kg 0
5c52a8bb-19f2-45d7-9539-1bbf5387a4e5 Environmental → Water → Ocean EF 3.1 kg 4
bcc0519e-46c1-4c70-8e69-4534b43da6b2 Environmental → Water → Surface water EF 3.1 kg 4
92550ae9-2b13-4d82-9653-840241e0f7aa 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 
{
  "flow_object_id": "fo-59b76c9158cec543",
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  "altLabel": [
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      "@value": "Butanedioic acid, sulfo-, 1,4-diisodecyl ester, sodium salt",
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