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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-methoxycarbonyl-6-oxidanyl-benzo[g][1,3]benzodioxole-7-carboxylic acid Openeye Name: 9-(1,3-benzodioxol-5-yl)-6-hydroxy-8-methoxycarbonyl-benzo[g][1,3]benzodioxole-7-carboxylic acid CAS Name: 9-(1,3-benzodioxol-5-yl)-6-hydroxy-8-methoxycarbonyl-7-benzo[g][1,3]benzodioxolecarboxylic acid IUPAC Name: 9-(1,3-benzodioxol-5-yl)-6-hydroxy-8-methoxycarbonylbenzo[g][1,3]benzodioxole-7-carboxylic acid Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-carbomethoxy-6-hydroxy-benzo[g][1,3]benzodioxole-7-carboxylic acid Formula: C21H14O9 MolecularWeight: 410.33046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14O9/c1-26-21(25)16-14(9-2-4-11-13(6-9)29-7-27-11)15-10(18(22)17(16)20(23)24)3-5-12-19(15)30-8-28-12/h2-6,22H,7-8H2,1H3,(H,23,24)