9-(1,3-benzodioxol-5-yl)-6-methoxy-8-methoxycarbonyl-benzo[g][1,3]benzodioxole-7-carboxylic acid

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-6-methoxy-8-methoxycarbonyl-benzo[g][1,3]benzodioxole-7-carboxylic acid Openeye Name: 9-(1,3-benzodioxol-5-yl)-6-methoxy-8-methoxycarbonyl-benzo[g][1,3]benzodioxole-7-carboxylic acid CAS Name: 9-(1,3-benzodioxol-5-yl)-6-methoxy-8-methoxycarbonyl-7-benzo[g][1,3]benzodioxolecarboxylic acid IUPAC Name: 9-(1,3-benzodioxol-5-yl)-6-methoxy-8-methoxycarbonylbenzo[g][1,3]benzodioxole-7-carboxylic acid Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-carbomethoxy-6-methoxy-benzo[g][1,3]benzodioxole-7-carboxylic acid Formula: C22H16O9 MolecularWeight: 424.35704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1C=CC3=C2OCO3)C4=CC5=C(C=C4)OCO5)C(=O)OC)C(=O)O

Isomeric SMILES

COC1=C(C(=C(C2=C1C=CC3=C2OCO3)C4=CC5=C(C=C4)OCO5)C(=O)OC)C(=O)O

InChI

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