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Reference substances

Reference substances

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General information

Inventory

EC number:
209-406-4
EC name:
Docusate sodium
CAS number:
577-11-7

No inventory information available

Reference substance information

IUPAC name:
sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate
Synonyms
Names:
Aerosol OT-B
Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt

CAS information

CAS number:
577-11-7

Molecular and structural information

Molecular formula:
C20H38O7S.Na
Molecular weight:
444.56
SMILES notation:
[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC
InChl:
InChI=1/C20H38O7S.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
Structural formula:
Chemical structure