[(9Z,16E)-18-oxidanyloctadeca-9,16-dien-12,14-diynyl] ethanoate

Systemtic Name: [(9Z,16E)-18-oxidanyloctadeca-9,16-dien-12,14-diynyl] ethanoate Openeye Name: [(9Z,16E)-18-hydroxyoctadeca-9,16-dien-12,14-diynyl] acetate CAS Name: acetic acid [(9Z,16E)-18-hydroxyoctadeca-9,16-dien-12,14-diynyl] ester IUPAC Name: [(9Z,16E)-18-hydroxyoctadeca-9,16-dien-12,14-diynyl] acetate Traditional Name: acetic acid [(9Z,16E)-18-hydroxyoctadeca-9,16-dien-12,14-diynyl] ester Formula: C20H28O3 MolecularWeight: 316.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCCCCC=CCC#CC#CC=CCO

Isomeric SMILES

CC(=O)OCCCCCCCC/C=C\CC#CC#C/C=C/CO

InChI

InChI=1S/C20H28O3/c1-20(22)23-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21/h2-3,14,16,21H,4-5,7,9,11,13,15,17-19H2,1H3/b3-2-,16-14+