3-hexadecoxy-2-sulfanyl-butanoic acid

Systemtic Name: 3-hexadecoxy-2-sulfanyl-butanoic acid Openeye Name: 3-hexadecoxy-2-sulfanyl-butanoic acid CAS Name: 3-hexadecoxy-2-mercaptobutanoic acid IUPAC Name: 3-hexadecoxy-2-sulfanylbutanoic acid Traditional Name: 3-cetyloxy-2-mercapto-butyric acid Formula: C20H40O3S MolecularWeight: 360.5948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(C)C(C(=O)O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(C)C(C(=O)O)S

InChI

InChI=1S/C20H40O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18(2)19(24)20(21)22/h18-19,24H,3-17H2,1-2H3,(H,21,22)