diazanium 4-hexadecoxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: diazanium 4-hexadecoxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: diammonium 4-hexadecoxy-4-oxo-3-sulfonato-butanoate CAS Name: diammonium 4-hexadecoxy-4-oxo-3-sulfonatobutanoate IUPAC Name: diazanium 4-hexadecoxy-4-oxo-3-sulfonatobutanoate Traditional Name: diammonium 4-cetyloxy-4-keto-3-sulfonato-butyrate Formula: C20H44N2O7S MolecularWeight: 456.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C20H38O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-20(23)18(17-19(21)22)28(24,25)26;;/h18H,2-17H2,1H3,(H,21,22)(H,24,25,26);2*1H3