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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(3-hydroxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(3-hydroxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-5-(3-hydroxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(3-hydroxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoyl]-5-(3-hydroxyphenyl)cyclohexane-1,3-quinone Formula: C22H20O6 MolecularWeight: 380.3906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O6/c23-16-3-1-2-14(9-16)15-10-18(25)22(19(26)11-15)17(24)6-4-13-5-7-20-21(8-13)28-12-27-20/h1-3,5,7-9,15,22-23H,4,6,10-12H2