methyl (12E,15Z)-11-acetyloxyoctadeca-12,15-dien-9-ynoate

Systemtic Name: methyl (12E,15Z)-11-acetyloxyoctadeca-12,15-dien-9-ynoate Openeye Name: methyl (12E,15Z)-11-acetoxyoctadeca-12,15-dien-9-ynoate CAS Name: (12E,15Z)-11-acetyloxyoctadeca-12,15-dien-9-ynoic acid methyl ester IUPAC Name: methyl (12E,15Z)-11-acetyloxyoctadeca-12,15-dien-9-ynoate Traditional Name: (12E,15Z)-11-acetoxyoctadeca-12,15-dien-9-ynoic acid methyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CC(C#CCCCCCCCC(=O)OC)OC(=O)C

Isomeric SMILES

CC/C=C\C/C=C/C(C#CCCCCCCCC(=O)OC)OC(=O)C

InChI

InChI=1S/C21H32O4/c1-4-5-6-10-13-16-20(25-19(2)22)17-14-11-8-7-9-12-15-18-21(23)24-3/h5-6,13,16,20H,4,7-12,15,18H2,1-3H3/b6-5-,16-13+