(6-ethanoyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) benzoate

Systemtic Name: (6-ethanoyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) benzoate Openeye Name: (6-acetyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) benzoate CAS Name: benzoic acid (6-acetyl-7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (6-acetyl-7-oxocyclohepta-1,3,5-trien-1-yl) benzoate Traditional Name: benzoic acid (6-acetyl-7-keto-cyclohepta-1,3,5-trien-1-yl) ester Formula: C16H12O4 MolecularWeight: 268.26408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O4/c1-11(17)13-9-5-6-10-14(15(13)18)20-16(19)12-7-3-2-4-8-12/h2-10H,1H3