dimethyl 9-(1,3-benzodioxol-5-yl)-6-oxidanyl-benzo[g][1,3]benzodioxole-7,8-dicarboxylate

Systemtic Name: dimethyl 9-(1,3-benzodioxol-5-yl)-6-oxidanyl-benzo[g][1,3]benzodioxole-7,8-dicarboxylate Openeye Name: dimethyl 9-(1,3-benzodioxol-5-yl)-6-hydroxy-benzo[g][1,3]benzodioxole-7,8-dicarboxylate CAS Name: 9-(1,3-benzodioxol-5-yl)-6-hydroxybenzo[g][1,3]benzodioxole-7,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 9-(1,3-benzodioxol-5-yl)-6-hydroxybenzo[g][1,3]benzodioxole-7,8-dicarboxylate Traditional Name: 9-(1,3-benzodioxol-5-yl)-6-hydroxy-benzo[g][1,3]benzodioxole-7,8-dicarboxylic acid dimethyl ester Formula: C22H16O9 MolecularWeight: 424.35704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC3=C2OCO3)C(=C1C(=O)OC)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC3=C2OCO3)C(=C1C(=O)OC)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H16O9/c1-26-21(24)17-15(10-3-5-12-14(7-10)30-8-28-12)16-11(19(23)18(17)22(25)27-2)4-6-13-20(16)31-9-29-13/h3-7,23H,8-9H2,1-2H3