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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)CC1=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C(CC(=O)CC1=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12O4/c14-10-3-9(4-11(15)6-10)8-1-2-12-13(5-8)17-7-16-12/h1-2,5,9H,3-4,6-7H2