disodium 4-dodecanoyloxy-4-oxidanylidene-3-sulfo-butanoate

Systemtic Name: disodium 4-dodecanoyloxy-4-oxidanylidene-3-sulfo-butanoate Openeye Name: disodium 4-dodecanoyloxy-4-oxo-3-sulfo-butanoate CAS Name: disodium 4-oxo-4-(1-oxododecoxy)-3-sulfobutanoate IUPAC Name: disodium 4-dodecanoyloxy-4-oxo-3-sulfobutanoate Traditional Name: disodium 4-keto-4-lauroyloxy-3-sulfo-butyrate Formula: C16H27Na2O8S+ MolecularWeight: 425.42532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(=O)C(CC(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C16H28O8S.2Na/c1-2-3-4-5-6-7-8-9-10-11-15(19)24-16(20)13(12-14(17)18)25(21,22)23;;/h13H,2-12H2,1H3,(H,17,18)(H,21,22,23);;/q;2*+1/p-1