ethyl 4-phenyl-4-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]butanoate

Systemtic Name: ethyl 4-phenyl-4-[2,4,5-trimethyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]butanoate Openeye Name: ethyl 4-phenyl-4-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)butanoate CAS Name: 4-phenyl-4-(2,4,5-trimethyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-phenyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoate Traditional Name: 4-(3,6-diketo-2,4,5-trimethyl-cyclohexa-1,4-dien-1-yl)-4-phenyl-butyric acid ethyl ester Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C1=CC=CC=C1)C2=C(C(=O)C(=C(C2=O)C)C)C

Isomeric SMILES

CCOC(=O)CCC(C1=CC=CC=C1)C2=C(C(=O)C(=C(C2=O)C)C)C

InChI

InChI=1S/C21H24O4/c1-5-25-18(22)12-11-17(16-9-7-6-8-10-16)19-15(4)20(23)13(2)14(3)21(19)24/h6-10,17H,5,11-12H2,1-4H3