2-sulfanylpropanoyl (E)-octadec-9-enoate

Systemtic Name: 2-sulfanylpropanoyl (E)-octadec-9-enoate Openeye Name: 2-sulfanylpropanoyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (2-mercapto-1-oxopropyl) ester IUPAC Name: 2-sulfanylpropanoyl (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid 2-mercaptopropanoyl ester Formula: C21H38O3S MolecularWeight: 370.58962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(=O)C(C)S

Isomeric SMILES

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

InChI

InChI=1S/C21H38O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)24-21(23)19(2)25/h10-11,19,25H,3-9,12-18H2,1-2H3/b11-10+