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

Systemtic Name: methyl (9Z,11E)-13-methyl-13-oxidanyl-octadeca-9,11-dienoate Openeye Name: methyl (9Z,11E)-13-hydroxy-13-methyl-octadeca-9,11-dienoate CAS Name: (9Z,11E)-13-hydroxy-13-methyloctadeca-9,11-dienoic acid methyl ester IUPAC Name: methyl (9Z,11E)-13-hydroxy-13-methyloctadeca-9,11-dienoate Traditional Name: (9Z,11E)-13-hydroxy-13-methyl-octadeca-9,11-dienoic acid methyl ester Formula: C20H36O3 MolecularWeight: 324.49804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O3/c1-4-5-14-17-20(2,22)18-15-12-10-8-6-7-9-11-13-16-19(21)23-3/h10,12,15,18,22H,4-9,11,13-14,16-17H2,1-3H3/b12-10-,18-15+