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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[2-(1,3-benzodioxol-5-yl)-1-oxoethyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)acetyl]-5-(2-methoxyphenyl)cyclohexane-1,3-quinone Formula: C22H20O6 MolecularWeight: 380.3906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20O6/c1-26-19-5-3-2-4-15(19)14-10-17(24)22(18(25)11-14)16(23)8-13-6-7-20-21(9-13)28-12-27-20/h2-7,9,14,22H,8,10-12H2,1H3