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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C2C=CC3=C(C2=C1C4=CC5=C(C=C4)OCO5)OCO3)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C2C=CC3=C(C2=C1C4=CC5=C(C=C4)OCO5)OCO3)C(=O)O

InChI

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