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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-5-(p-tolyl)cyclohexane-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-5-(4-methylphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-5-(4-methylphenyl)cyclohexane-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-5-(p-tolyl)cyclohexane-1,3-quinone Formula: C22H20O5 MolecularWeight: 364.3912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20O5/c1-13-2-5-15(6-3-13)16-10-18(24)22(19(25)11-16)17(23)8-14-4-7-20-21(9-14)27-12-26-20/h2-7,9,16,22H,8,10-12H2,1H3