dimethyl 2-[1-(4-methylphenyl)-1,4-bis(oxidanylidene)-4-phenyl-butan-2-yl]propanedioate

Systemtic Name: dimethyl 2-[1-(4-methylphenyl)-1,4-bis(oxidanylidene)-4-phenyl-butan-2-yl]propanedioate Openeye Name: dimethyl 2-[1-(4-methylbenzoyl)-3-oxo-3-phenyl-propyl]propanedioate CAS Name: 2-[1-(4-methylphenyl)-1,4-dioxo-4-phenylbutan-2-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-methylphenyl)-1,4-dioxo-4-phenylbutan-2-yl]propanedioate Traditional Name: 2-(3-keto-3-phenyl-1-p-toluoyl-propyl)malonic acid dimethyl ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O6/c1-14-9-11-16(12-10-14)20(24)17(19(21(25)27-2)22(26)28-3)13-18(23)15-7-5-4-6-8-15/h4-12,17,19H,13H2,1-3H3