8-(3,4-dimethoxyphenyl)-7-methoxycarbonyl-5-oxidanyl-benzo[f][1,3]benzodioxole-6-carboxylic acid

Systemtic Name: 8-(3,4-dimethoxyphenyl)-7-methoxycarbonyl-5-oxidanyl-benzo[f][1,3]benzodioxole-6-carboxylic acid Openeye Name: 8-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxycarbonyl-benzo[f][1,3]benzodioxole-6-carboxylic acid CAS Name: 8-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxycarbonyl-6-benzo[f][1,3]benzodioxolecarboxylic acid IUPAC Name: 8-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxycarbonylbenzo[f][1,3]benzodioxole-6-carboxylic acid Traditional Name: 7-carbomethoxy-8-(3,4-dimethoxyphenyl)-5-hydroxy-benzo[f][1,3]benzodioxole-6-carboxylic acid Formula: C22H18O9 MolecularWeight: 426.37292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=C(C3=CC4=C(C=C32)OCO4)O)C(=O)O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=C(C3=CC4=C(C=C32)OCO4)O)C(=O)O)C(=O)OC)OC

InChI

InChI=1S/C22H18O9/c1-27-13-5-4-10(6-14(13)28-2)17-11-7-15-16(31-9-30-15)8-12(11)20(23)19(21(24)25)18(17)22(26)29-3/h4-8,23H,9H2,1-3H3,(H,24,25)