2-pentanoyl-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-pentanoyl-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-pentanoyl-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-(1-oxopentyl)-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-pentanoyl-5-phenylcyclohexane-1,3-dione Traditional Name: 5-phenyl-2-valeryl-cyclohexane-1,3-quinone Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1C(=O)CC(CC1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)C1C(=O)CC(CC1=O)C2=CC=CC=C2

InChI

InChI=1S/C17H20O3/c1-2-3-9-14(18)17-15(19)10-13(11-16(17)20)12-7-5-4-6-8-12/h4-8,13,17H,2-3,9-11H2,1H3