[(E)-octadec-9-enyl] 3-phenyl-3-sulfanyl-propanoate

Systemtic Name: [(E)-octadec-9-enyl] 3-phenyl-3-sulfanyl-propanoate Openeye Name: [(E)-octadec-9-enyl] 3-phenyl-3-sulfanyl-propanoate CAS Name: 3-mercapto-3-phenylpropanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 3-phenyl-3-sulfanylpropanoate Traditional Name: 3-mercapto-3-phenyl-propionic acid [(E)-octadec-9-enyl] ester Formula: C27H44O2S MolecularWeight: 432.70206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)CC(C1=CC=CC=C1)S

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)CC(C1=CC=CC=C1)S

InChI

InChI=1S/C27H44O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-29-27(28)24-26(30)25-21-18-17-19-22-25/h9-10,17-19,21-22,26,30H,2-8,11-16,20,23-24H2,1H3/b10-9+