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

Systemtic Name: 2-butanoyl-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione CAS Name: 5-(3,4-dimethoxyphenyl)-2-(1-oxobutyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-quinone Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O5/c1-4-5-13(19)18-14(20)8-12(9-15(18)21)11-6-7-16(22-2)17(10-11)23-3/h6-7,10,12,18H,4-5,8-9H2,1-3H3