4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-oxidanyl-3a,9a-dihydro-3H-benzo[f][2]benzofuran-1,9-dione

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-oxidanyl-3a,9a-dihydro-3H-benzo[f][2]benzofuran-1,9-dione Openeye Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3a,9a-dihydro-3H-benzo[f]isobenzofuran-1,9-dione CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3a,9a-dihydro-3H-benzo[f]isobenzofuran-1,9-dione IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3a,9a-dihydro-3H-benzo[f][2]benzofuran-1,9-dione Traditional Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3a,9a-dihydro-3H-benz[f]isobenzofuran-1,9-quinone Formula: C21H18O8 MolecularWeight: 398.36282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C3C(C2(C4=CC5=C(C=C4)OCO5)O)COC3=O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C3C(C2(C4=CC5=C(C=C4)OCO5)O)COC3=O)OC

InChI

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