[(3Z,6S,7E)-trideca-3,7-dien-9,12-diyn-6-yl] benzoate

Systemtic Name: [(3Z,6S,7E)-trideca-3,7-dien-9,12-diyn-6-yl] benzoate Openeye Name: [(E,1S)-1-[(Z)-pent-2-enyl]oct-2-en-4,7-diynyl] benzoate CAS Name: benzoic acid [(3Z,6S,7E)-trideca-3,7-dien-9,12-diyn-6-yl] ester IUPAC Name: [(3Z,6S,7E)-trideca-3,7-dien-9,12-diyn-6-yl] benzoate Traditional Name: benzoic acid [(E,1S)-1-[(Z)-pent-2-enyl]oct-2-en-4,7-diynyl] ester Formula: C20H20O2 MolecularWeight: 292.3716

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C=CC#CCC#C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CC/C=C\C[C@@H](/C=C/C#CCC#C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H20O2/c1-3-5-7-8-13-17-19(16-10-6-4-2)22-20(21)18-14-11-9-12-15-18/h1,6,9-15,17,19H,4-5,16H2,2H3/b10-6-,17-13+/t19-/m0/s1