trisodium 4-(1-dodecoxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoate

Systemtic Name: trisodium 4-(1-dodecoxyethylperoxy)-4-oxidanylidene-2-sulfo-butanoate Openeye Name: trisodium 4-(1-dodecoxyethylperoxy)-4-oxo-2-sulfo-butanoate CAS Name: trisodium 4-(1-dodecoxyethyldioxy)-4-oxo-2-sulfobutanoate IUPAC Name: trisodium 4-(1-dodecoxyethylperoxy)-4-oxo-2-sulfobutanoate Traditional Name: trisodium 4-keto-4-(1-lauryloxyethylperoxy)-2-sulfo-butyrate Formula: C18H33Na3O9S+2 MolecularWeight: 494.48353

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)OOC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(C)OOC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C18H34O9S.3Na/c1-3-4-5-6-7-8-9-10-11-12-13-25-15(2)26-27-17(19)14-16(18(20)21)28(22,23)24;;;/h15-16H,3-14H2,1-2H3,(H,20,21)(H,22,23,24);;;/q;3*+1/p-1