2-butanoyl-5-(4-methylphenyl)carbonyl-cyclohexane-1,3-dione

Systemtic Name: 2-butanoyl-5-(4-methylphenyl)carbonyl-cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(4-methylbenzoyl)cyclohexane-1,3-dione CAS Name: 5-[(4-methylphenyl)-oxomethyl]-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(4-methylbenzoyl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-p-toluoyl-cyclohexane-1,3-quinone Formula: C18H20O4 MolecularWeight: 300.349

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H20O4/c1-3-4-14(19)17-15(20)9-13(10-16(17)21)18(22)12-7-5-11(2)6-8-12/h5-8,13,17H,3-4,9-10H2,1-2H3