[(1E,3E)-1-[(1R,2R)-2-methanoylcyclohexyl]trideca-1,3-dien-5-yl] ethanoate

Systemtic Name: [(1E,3E)-1-[(1R,2R)-2-methanoylcyclohexyl]trideca-1,3-dien-5-yl] ethanoate Openeye Name: 1-[(1E,3E)-4-[(1R,2R)-2-formylcyclohexyl]buta-1,3-dienyl]nonyl acetate CAS Name: acetic acid [(1E,3E)-1-[(1R,2R)-2-formylcyclohexyl]trideca-1,3-dien-5-yl] ester IUPAC Name: [(1E,3E)-1-[(1R,2R)-2-formylcyclohexyl]trideca-1,3-dien-5-yl] acetate Traditional Name: acetic acid [(2E,4E)-5-[(1R,2R)-2-formylcyclohexyl]-1-octyl-penta-2,4-dienyl] ester Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1CCCCC1C=O)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/[C@H]1CCCC[C@H]1C=O)OC(=O)C

InChI

InChI=1S/C22H36O3/c1-3-4-5-6-7-8-16-22(25-19(2)24)17-12-11-14-20-13-9-10-15-21(20)18-23/h11-12,14,17-18,20-22H,3-10,13,15-16H2,1-2H3/b14-11+,17-12+/t20-,21+,22?/m1/s1