disodium 4-icosoxy-4-oxidanylidene-3-sulfonato-butanoate

Systemtic Name: disodium 4-icosoxy-4-oxidanylidene-3-sulfonato-butanoate Openeye Name: disodium 4-icosoxy-4-oxo-3-sulfonato-butanoate CAS Name: disodium 4-eicosoxy-4-oxo-3-sulfonatobutanoate IUPAC Name: disodium 4-icosoxy-4-oxo-3-sulfonatobutanoate Traditional Name: disodium 4-arachyloxy-4-keto-3-sulfonato-butyrate Formula: C24H44Na2O7S MolecularWeight: 522.6465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46O7S.2Na/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);;/q;2*+1/p-2