2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-methylphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-(4-methylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C23H22O5 MolecularWeight: 378.41778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22O5/c1-14-2-6-16(7-3-14)17-11-19(25)23(20(26)12-17)18(24)8-4-15-5-9-21-22(10-15)28-13-27-21/h2-3,5-7,9-10,17,23H,4,8,11-13H2,1H3