[(2S,3E,5E)-7-oxidanylidenehepta-3,5-dien-2-yl] benzoate

Systemtic Name: [(2S,3E,5E)-7-oxidanylidenehepta-3,5-dien-2-yl] benzoate Openeye Name: [(1S,2E,4E)-1-methyl-6-oxo-hexa-2,4-dienyl] benzoate CAS Name: benzoic acid [(2S,3E,5E)-7-oxohepta-3,5-dien-2-yl] ester IUPAC Name: [(2S,3E,5E)-7-oxohepta-3,5-dien-2-yl] benzoate Traditional Name: benzoic acid [(1S,2E,4E)-6-keto-1-methyl-hexa-2,4-dienyl] ester Formula: C14H14O3 MolecularWeight: 230.25916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O3/c1-12(8-4-3-7-11-15)17-14(16)13-9-5-2-6-10-13/h2-12H,1H3/b7-3+,8-4+/t12-/m0/s1