methyl (E)-12-ethanoyl-12-oxidanyl-octadec-9-enoate

Systemtic Name: methyl (E)-12-ethanoyl-12-oxidanyl-octadec-9-enoate Openeye Name: methyl (E)-12-acetyl-12-hydroxy-octadec-9-enoate CAS Name: (E)-12-acetyl-12-hydroxy-9-octadecenoic acid methyl ester IUPAC Name: methyl (E)-12-acetyl-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-acetyl-12-hydroxy-octadec-9-enoic acid methyl ester Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC)(C(=O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H38O4/c1-4-5-6-14-17-21(24,19(2)22)18-15-12-10-8-7-9-11-13-16-20(23)25-3/h12,15,24H,4-11,13-14,16-18H2,1-3H3/b15-12+