sodium (15-methyl-3-oxidanylidene-hexadecyl) hydrogen sulfate

Systemtic Name: sodium (15-methyl-3-oxidanylidene-hexadecyl) hydrogen sulfate Openeye Name: sodium (15-methyl-3-oxo-hexadecyl) hydrogen sulfate CAS Name: sodium sulfuric acid (15-methyl-3-oxohexadecyl) ester IUPAC Name: sodium (15-methyl-3-oxohexadecyl) hydrogen sulfate Traditional Name: sodium sulfuric acid (3-keto-15-methyl-hexadecyl) ester Formula: C17H34NaO5S+ MolecularWeight: 373.50363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(=O)CCOS(=O)(=O)O.[Na+]

Isomeric SMILES

CC(C)CCCCCCCCCCCC(=O)CCOS(=O)(=O)O.[Na+]

InChI

InChI=1S/C17H34O5S.Na/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-17(18)14-15-22-23(19,20)21;/h16H,3-15H2,1-2H3,(H,19,20,21);/q;+1