[2-(hydroxymethyl)-2-methylsulfanyl-3-oxidanyl-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-(hydroxymethyl)-2-methylsulfanyl-3-oxidanyl-propyl] (E)-octadec-9-enoate Openeye Name: [3-hydroxy-2-(hydroxymethyl)-2-methylsulfanyl-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-hydroxy-2-(hydroxymethyl)-2-(methylthio)propyl] ester IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-2-methylsulfanylpropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-hydroxy-2-methylol-2-(methylthio)propyl] ester Formula: C23H44O4S MolecularWeight: 416.65806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)SC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)(CO)SC

InChI

InChI=1S/C23H44O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)27-21-23(19-24,20-25)28-2/h10-11,24-25H,3-9,12-21H2,1-2H3/b11-10+