methyl (9E,11E,13S)-13-acetyloxyoctadeca-9,11-dienoate

Systemtic Name: methyl (9E,11E,13S)-13-acetyloxyoctadeca-9,11-dienoate Openeye Name: methyl (9E,11E,13S)-13-acetoxyoctadeca-9,11-dienoate CAS Name: (9E,11E,13S)-13-acetyloxyoctadeca-9,11-dienoic acid methyl ester IUPAC Name: methyl (9E,11E,13S)-13-acetyloxyoctadeca-9,11-dienoate Traditional Name: (9E,11E,13S)-13-acetoxyoctadeca-9,11-dienoic acid methyl ester Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@@H](/C=C/C=C/CCCCCCCC(=O)OC)OC(=O)C

InChI

InChI=1S/C21H36O4/c1-4-5-13-16-20(25-19(2)22)17-14-11-9-7-6-8-10-12-15-18-21(23)24-3/h9,11,14,17,20H,4-8,10,12-13,15-16,18H2,1-3H3/b11-9+,17-14+/t20-/m0/s1