(2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) benzoate

Systemtic Name: (2,4,6-trimethyl-7-oxidanylidene-cyclohepta-1,3,5-trien-1-yl) benzoate Openeye Name: (2,4,6-trimethyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) benzoate CAS Name: benzoic acid (2,4,6-trimethyl-7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (2,4,6-trimethyl-7-oxocyclohepta-1,3,5-trien-1-yl) benzoate Traditional Name: benzoic acid (7-keto-2,4,6-trimethyl-cyclohepta-1,3,5-trien-1-yl) ester Formula: C17H16O3 MolecularWeight: 268.30714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O3/c1-11-9-12(2)15(18)16(13(3)10-11)20-17(19)14-7-5-4-6-8-14/h4-10H,1-3H3