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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-7-methoxycarbonyl-benzo[g][1,3]benzodioxole-8-carboxylic acid Openeye Name: 9-(1,3-benzodioxol-5-yl)-7-methoxycarbonyl-benzo[g][1,3]benzodioxole-8-carboxylic acid CAS Name: 9-(1,3-benzodioxol-5-yl)-7-methoxycarbonyl-8-benzo[g][1,3]benzodioxolecarboxylic acid IUPAC Name: 9-(1,3-benzodioxol-5-yl)-7-methoxycarbonylbenzo[g][1,3]benzodioxole-8-carboxylic acid Traditional Name: 9-(1,3-benzodioxol-5-yl)-7-carbomethoxy-benzo[g][1,3]benzodioxole-8-carboxylic acid Formula: C21H14O8 MolecularWeight: 394.33106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C2C(=C1)C=CC3=C2OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C(=C2C(=C1)C=CC3=C2OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C21H14O8/c1-25-21(24)12-6-10-3-5-14-19(29-9-27-14)17(10)16(18(12)20(22)23)11-2-4-13-15(7-11)28-8-26-13/h2-7H,8-9H2,1H3,(H,22,23)