9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione

Systemtic Name: 9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione Openeye Name: 9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione CAS Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-dione IUPAC Name: 9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione Traditional Name: 9-(4-hydroxy-3,5-dimethoxy-phenyl)-5a,6,8a,9-tetrahydroisobenzofuro[5,6-f][1,3]benzodioxole-5,8-quinone Formula: C21H18O8 MolecularWeight: 398.36282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(=O)C4=CC5=C(C=C24)OCO5

InChI

InChI=1S/C21H18O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-18,23H,7-8H2,1-2H3