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

Systemtic Name: 2-butanoyl-5-(4-phenoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-butanoyl-5-(4-phenoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-(1-oxobutyl)-5-(4-phenoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-butanoyl-5-(4-phenoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-butyryl-5-(4-phenoxyphenyl)cyclohexane-1,3-quinone Formula: C22H22O4 MolecularWeight: 350.40768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1C(=O)CC(CC1=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H22O4/c1-2-6-19(23)22-20(24)13-16(14-21(22)25)15-9-11-18(12-10-15)26-17-7-4-3-5-8-17/h3-5,7-12,16,22H,2,6,13-14H2,1H3