(3,3,5-trimethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl) benzoate

Systemtic Name: (3,3,5-trimethyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl) benzoate Openeye Name: (3,3,5-trimethyl-4-oxo-cyclohexa-1,5-dien-1-yl) benzoate CAS Name: benzoic acid (3,3,5-trimethyl-4-oxo-1-cyclohexa-1,5-dienyl) ester IUPAC Name: (3,3,5-trimethyl-4-oxocyclohexa-1,5-dien-1-yl) benzoate Traditional Name: benzoic acid (4-keto-3,3,5-trimethyl-cyclohexa-1,5-dien-1-yl) ester Formula: C16H16O3 MolecularWeight: 256.29644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(C1=O)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC(C1=O)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O3/c1-11-9-13(10-16(2,3)14(11)17)19-15(18)12-7-5-4-6-8-12/h4-10H,1-3H3