[(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9Z,12Z)-octadeca-9,12-dienoate

Systemtic Name: [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9Z,12Z)-octadeca-9,12-dienoate Openeye Name: [(Z)-1-vinylpentadec-7-en-2,4-diynyl] (9Z,12Z)-octadeca-9,12-dienoate CAS Name: (9Z,12Z)-octadeca-9,12-dienoic acid [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] ester IUPAC Name: [(9Z)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9Z,12Z)-octadeca-9,12-dienoate Traditional Name: (9Z,12Z)-octadeca-9,12-dienoic acid [(Z)-1-vinylpentadec-7-en-2,4-diynyl] ester Formula: C35H54O2 MolecularWeight: 506.80206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=CCC#CC#CC(C=C)OC(=O)CCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCC/C=C\CC#CC#CC(C=C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C35H54O2/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(36)37-34(6-3)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h6,13,15,18-20,22,34H,3-5,7-12,14,16-17,21,23-25,27,29,31,33H2,1-2H3/b15-13-,20-19-,22-18-