diazanium 4-icosoxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: diazanium 4-icosoxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: diammonium 4-icosoxy-4-oxo-3-sulfonato-butanoate CAS Name: diammonium 4-eicosoxy-4-oxo-3-sulfonatobutanoate IUPAC Name: diazanium 4-icosoxy-4-oxo-3-sulfonatobutanoate Traditional Name: diammonium 4-arachyloxy-4-keto-3-sulfonato-butyrate Formula: C24H52N2O7S MolecularWeight: 512.74388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46O7S.2H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-24(27)22(21-23(25)26)32(28,29)30;;/h22H,2-21H2,1H3,(H,25,26)(H,28,29,30);2*1H3