[(E)-octadec-9-enyl] 3-sulfanylpropanoate

Systemtic Name: [(E)-octadec-9-enyl] 3-sulfanylpropanoate Openeye Name: [(E)-octadec-9-enyl] 3-sulfanylpropanoate CAS Name: 3-mercaptopropanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 3-sulfanylpropanoate Traditional Name: 3-mercaptopropionic acid [(E)-octadec-9-enyl] ester Formula: C21H40O2S MolecularWeight: 356.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CCS

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CCS

InChI

InChI=1S/C21H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24/h9-10,24H,2-8,11-20H2,1H3/b10-9+