5-(1,3-benzodioxol-5-yl)-6-methoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-methoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-methoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-6-methoxycarbonyl-7-benzo[f][1,3]benzodioxolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-methoxycarbonylbenzo[f][1,3]benzodioxole-7-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-6-carbomethoxy-benzo[f][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=C3C(=CC2=C1C4=CC5=C(C=C4)OCO5)OCO3)C(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C2C=C3C(=CC2=C1C4=CC5=C(C=C4)OCO5)OCO3)C(=O)O

InChI

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