2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-oxobutyl]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-phenyl-cyclohexane-1,3-quinone Formula: C23H22O5 MolecularWeight: 378.41778

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C23H22O5/c24-18(8-4-5-15-9-10-21-22(11-15)28-14-27-21)23-19(25)12-17(13-20(23)26)16-6-2-1-3-7-16/h1-3,6-7,9-11,17,23H,4-5,8,12-14H2