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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione Openeye Name: 5-(1,3-benzodioxol-5-yl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione CAS Name: 5-(1,3-benzodioxol-5-yl)-2-(1-oxo-3-phenylpropyl)cyclohexane-1,3-dione IUPAC Name: 5-(1,3-benzodioxol-5-yl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione Traditional Name: 5-(1,3-benzodioxol-5-yl)-2-hydrocinnamoyl-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=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(CC(=O)C(C1=O)C(=O)CCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

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