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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-1-oxobutyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)butanoyl]-5-(2-methoxyphenyl)cyclohexane-1,3-quinone Formula: C24H24O6 MolecularWeight: 408.44376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1C2CC(=O)C(C(=O)C2)C(=O)CCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H24O6/c1-28-21-8-3-2-6-17(21)16-12-19(26)24(20(27)13-16)18(25)7-4-5-15-9-10-22-23(11-15)30-14-29-22/h2-3,6,8-11,16,24H,4-5,7,12-14H2,1H3