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

Systemtic Name: 2-butanoyl-5-(4-chlorophenyl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(4-chlorophenyl)cyclohexane-1,3-dione CAS Name: 5-(4-chlorophenyl)-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(4-chlorophenyl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-(4-chlorophenyl)cyclohexane-1,3-quinone Formula: C16H17ClO3 MolecularWeight: 292.75738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClO3/c1-2-3-13(18)16-14(19)8-11(9-15(16)20)10-4-6-12(17)7-5-10/h4-7,11,16H,2-3,8-9H2,1H3