ethyl (9Z,11E)-13-methyl-13-oxidanyl-octadeca-9,11-dienoate

Systemtic Name: ethyl (9Z,11E)-13-methyl-13-oxidanyl-octadeca-9,11-dienoate Openeye Name: ethyl (9Z,11E)-13-hydroxy-13-methyl-octadeca-9,11-dienoate CAS Name: (9Z,11E)-13-hydroxy-13-methyloctadeca-9,11-dienoic acid ethyl ester IUPAC Name: ethyl (9Z,11E)-13-hydroxy-13-methyloctadeca-9,11-dienoate Traditional Name: (9Z,11E)-13-hydroxy-13-methyl-octadeca-9,11-dienoic acid ethyl ester Formula: C21H38O3 MolecularWeight: 338.52462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C=CC=CCCCCCCCC(=O)OCC)O

Isomeric SMILES

CCCCCC(C)(/C=C/C=C\CCCCCCCC(=O)OCC)O

InChI

InChI=1S/C21H38O3/c1-4-6-15-18-21(3,23)19-16-13-11-9-7-8-10-12-14-17-20(22)24-5-2/h11,13,16,19,23H,4-10,12,14-15,17-18H2,1-3H3/b13-11-,19-16+