[(8E,10E,12E)-14-oxidanylheptadeca-8,10,12-trien-4,6-diynyl] benzoate

Systemtic Name: [(8E,10E,12E)-14-oxidanylheptadeca-8,10,12-trien-4,6-diynyl] benzoate Openeye Name: [(8E,10E,12E)-14-hydroxyheptadeca-8,10,12-trien-4,6-diynyl] benzoate CAS Name: benzoic acid [(8E,10E,12E)-14-hydroxyheptadeca-8,10,12-trien-4,6-diynyl] ester IUPAC Name: [(8E,10E,12E)-14-hydroxyheptadeca-8,10,12-trien-4,6-diynyl] benzoate Traditional Name: benzoic acid [(8E,10E,12E)-14-hydroxyheptadeca-8,10,12-trien-4,6-diynyl] ester Formula: C24H26O3 MolecularWeight: 362.46144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=CC=CC=CC#CC#CCCCOC(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCC(/C=C/C=C/C=C/C#CC#CCCCOC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C24H26O3/c1-2-17-23(25)20-15-10-8-6-4-3-5-7-9-11-16-21-27-24(26)22-18-13-12-14-19-22/h4,6,8,10,12-15,18-20,23,25H,2,11,16-17,21H2,1H3/b6-4+,10-8+,20-15+