[(E)-4-(3-oxidanylidenecyclohexyl)but-3-enyl] benzoate

Systemtic Name: [(E)-4-(3-oxidanylidenecyclohexyl)but-3-enyl] benzoate Openeye Name: [(E)-4-(3-oxocyclohexyl)but-3-enyl] benzoate CAS Name: benzoic acid [(E)-4-(3-oxocyclohexyl)but-3-enyl] ester IUPAC Name: [(E)-4-(3-oxocyclohexyl)but-3-enyl] benzoate Traditional Name: benzoic acid [(E)-4-(3-ketocyclohexyl)but-3-enyl] ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)C=CCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC(CC(=O)C1)/C=C/CCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O3/c18-16-11-6-8-14(13-16)7-4-5-12-20-17(19)15-9-2-1-3-10-15/h1-4,7,9-10,14H,5-6,8,11-13H2/b7-4+