3-sulfanylpropyl (E)-octadec-9-enoate

Systemtic Name: 3-sulfanylpropyl (E)-octadec-9-enoate Openeye Name: 3-sulfanylpropyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 3-mercaptopropyl ester Formula: C21H40O2S MolecularWeight: 356.6061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCCS

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCCS

InChI

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