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2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione

2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione

Systemtic Name:2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione
Openeye Name:2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-dione
CAS Name:2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-phenylcyclohexane-1,3-dione
IUPAC Name:2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenylcyclohexane-1,3-dione
Traditional Name:2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-phenyl-cyclohexane-1,3-quinone
Formula: C22H20O5
MolecularWeight: 364.3912
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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4


Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4


InChI

InChI=1S/C22H20O5/c23-17(8-6-14-7-9-20-21(10-14)27-13-26-20)22-18(24)11-16(12-19(22)25)15-4-2-1-3-5-15/h1-5,7,9-10,16,22H,6,8,11-13H2


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