[(6E,9E,12E)-octadeca-6,9,12-trienoyl] benzoate

Systemtic Name: [(6E,9E,12E)-octadeca-6,9,12-trienoyl] benzoate Openeye Name: [(6E,9E,12E)-octadeca-6,9,12-trienoyl] benzoate CAS Name: benzoic acid [(6E,9E,12E)-1-oxooctadeca-6,9,12-trienyl] ester IUPAC Name: [(6E,9E,12E)-octadeca-6,9,12-trienoyl] benzoate Traditional Name: benzoic acid [(6E,9E,12E)-octadeca-6,9,12-trienoyl] ester Formula: C25H34O3 MolecularWeight: 382.53566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)28-25(27)23-20-17-16-18-21-23/h6-7,9-10,12-13,16-18,20-21H,2-5,8,11,14-15,19,22H2,1H3/b7-6+,10-9+,13-12+