3-[(6-oxidanyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]pentane-2,4-dione

Systemtic Name: 3-[(6-oxidanyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]pentane-2,4-dione Openeye Name: 3-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]pentane-2,4-dione CAS Name: 3-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]pentane-2,4-dione IUPAC Name: 3-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]pentane-2,4-dione Traditional Name: 3-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]pentane-2,4-dione Formula: C22H24O8 MolecularWeight: 416.42116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2O)OCO3)C(=O)C

Isomeric SMILES

CC(=O)C(C(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2O)OCO3)C(=O)C

InChI

InChI=1S/C22H24O8/c1-11(23)20(12(2)24)21(14-8-16-17(9-15(14)25)30-10-29-16)13-6-18(26-3)22(28-5)19(7-13)27-4/h6-9,20-21,25H,10H2,1-5H3