[4,7,7-trimethyl-2,5-bis(oxidanylidene)cyclohept-3-en-1-yl] benzoate

Systemtic Name: [4,7,7-trimethyl-2,5-bis(oxidanylidene)cyclohept-3-en-1-yl] benzoate Openeye Name: (4,7,7-trimethyl-2,5-dioxo-cyclohept-3-en-1-yl) benzoate CAS Name: benzoic acid (4,7,7-trimethyl-2,5-dioxo-1-cyclohept-3-enyl) ester IUPAC Name: (4,7,7-trimethyl-2,5-dioxocyclohept-3-en-1-yl) benzoate Traditional Name: benzoic acid (2,5-diketo-4,7,7-trimethyl-cyclohept-3-en-1-yl) ester Formula: C17H18O4 MolecularWeight: 286.32242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18O4/c1-11-9-13(18)15(17(2,3)10-14(11)19)21-16(20)12-7-5-4-6-8-12/h4-9,15H,10H2,1-3H3