diazanium 4-dodecoxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: diazanium 4-dodecoxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: diammonium 4-dodecoxy-4-oxo-3-sulfonato-butanoate CAS Name: diammonium 4-dodecoxy-4-oxo-3-sulfonatobutanoate IUPAC Name: diazanium 4-dodecoxy-4-oxo-3-sulfonatobutanoate Traditional Name: diammonium 4-keto-4-lauryloxy-3-sulfonato-butyrate Formula: C16H36N2O7S MolecularWeight: 400.53124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H30O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-23-16(19)14(13-15(17)18)24(20,21)22;;/h14H,2-13H2,1H3,(H,17,18)(H,20,21,22);2*1H3