(4-oxidanylidene-3-prop-2-enyl-cyclohex-2-en-1-yl) benzoate

Systemtic Name: (4-oxidanylidene-3-prop-2-enyl-cyclohex-2-en-1-yl) benzoate Openeye Name: (3-allyl-4-oxo-cyclohex-2-en-1-yl) benzoate CAS Name: benzoic acid (4-oxo-3-prop-2-enyl-1-cyclohex-2-enyl) ester IUPAC Name: (4-oxo-3-prop-2-enylcyclohex-2-en-1-yl) benzoate Traditional Name: benzoic acid (3-allyl-4-keto-cyclohex-2-en-1-yl) ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(CCC1=O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCC1=CC(CCC1=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O3/c1-2-6-13-11-14(9-10-15(13)17)19-16(18)12-7-4-3-5-8-12/h2-5,7-8,11,14H,1,6,9-10H2