diazanium 4-octadecoxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: diazanium 4-octadecoxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: diammonium 4-octadecoxy-4-oxo-3-sulfonato-butanoate CAS Name: diammonium 4-octadecoxy-4-oxo-3-sulfonatobutanoate IUPAC Name: diazanium 4-octadecoxy-4-oxo-3-sulfonatobutanoate Traditional Name: diammonium 4-keto-4-stearyloxy-3-sulfonato-butyrate Formula: C22H48N2O7S MolecularWeight: 484.69072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-22(25)20(19-21(23)24)30(26,27)28;;/h20H,2-19H2,1H3,(H,23,24)(H,26,27,28);2*1H3