5-oxidanyl-4-[(6-oxidanyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]furan-3-one

Systemtic Name: 5-oxidanyl-4-[(6-oxidanyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]furan-3-one Openeye Name: 5-hydroxy-4-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]furan-3-one CAS Name: 5-hydroxy-4-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-furanone IUPAC Name: 5-hydroxy-4-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]furan-3-one Traditional Name: 5-hydroxy-4-[(6-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]furan-3-one Formula: C21H20O9 MolecularWeight: 416.3781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)C4=C(OCC4=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)C4=C(OCC4=O)O

InChI

InChI=1S/C21H20O9/c1-25-16-4-10(5-17(26-2)20(16)27-3)18(19-13(23)8-28-21(19)24)11-6-14-15(7-12(11)22)30-9-29-14/h4-7,18,22,24H,8-9H2,1-3H3