2-sulfanylethyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 2-sulfanylethyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 2-sulfanylethyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 2-mercaptoethyl ester IUPAC Name: 2-sulfanylethyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 2-mercaptoethyl ester Formula: C20H38O3S MolecularWeight: 358.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCS)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCS)O

InChI

InChI=1S/C20H38O3S/c1-2-3-4-11-14-19(21)15-12-9-7-5-6-8-10-13-16-20(22)23-17-18-24/h9,12,19,21,24H,2-8,10-11,13-18H2,1H3/b12-9+