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2-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione

2-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione

Systemtic Name:2-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione
Openeye Name:2-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione
CAS Name:2-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione
IUPAC Name:2-(1,3-benzodioxol-5-yl)cyclohexane-1,3-dione
Traditional Name:2-(1,3-benzodioxol-5-yl)cyclohexane-1,3-quinone
Formula: C13H12O4
MolecularWeight: 232.23198
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=CC3=C(C=C2)OCO3


Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=CC3=C(C=C2)OCO3


InChI

InChI=1S/C13H12O4/c14-9-2-1-3-10(15)13(9)8-4-5-11-12(6-8)17-7-16-11/h4-6,13H,1-3,7H2


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