4-sulfanylbutanoyl (E)-octadec-9-enoate

Systemtic Name: 4-sulfanylbutanoyl (E)-octadec-9-enoate Openeye Name: 4-sulfanylbutanoyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (4-mercapto-1-oxobutyl) ester IUPAC Name: 4-sulfanylbutanoyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 4-mercaptobutanoyl ester Formula: C22H40O3S MolecularWeight: 384.6162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)CCCS

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(=O)CCCS

InChI

InChI=1S/C22H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)25-22(24)19-17-20-26/h9-10,26H,2-8,11-20H2,1H3/b10-9+