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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-6-ethoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-6-ethoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-6-ethoxycarbonyl-7-benzo[f][1,3]benzodioxolecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-6-ethoxycarbonylbenzo[f][1,3]benzodioxole-7-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-6-carbethoxy-benzo[f][1,3]benzodioxole-7-carboxylic acid Formula: C22H16O8 MolecularWeight: 408.35764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16O8/c1-2-26-22(25)20-14(21(23)24)5-12-7-17-18(30-10-29-17)8-13(12)19(20)11-3-4-15-16(6-11)28-9-27-15/h3-8H,2,9-10H2,1H3,(H,23,24)