hexadecyl 2-oxidanylidene-3-sulfanyl-propanoate

Systemtic Name: hexadecyl 2-oxidanylidene-3-sulfanyl-propanoate Openeye Name: hexadecyl 2-oxo-3-sulfanyl-propanoate CAS Name: 3-mercapto-2-oxopropanoic acid hexadecyl ester IUPAC Name: hexadecyl 2-oxo-3-sulfanylpropanoate Traditional Name: 2-keto-3-mercapto-propionic acid cetyl ester Formula: C19H36O3S MolecularWeight: 344.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(=O)CS

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(=O)CS

InChI

InChI=1S/C19H36O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(21)18(20)17-23/h23H,2-17H2,1H3