5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid

Systemtic Name: 5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid Openeye Name: 5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-benzo[f][1,3]benzodioxole-7-carboxylic acid CAS Name: 5-(3,4-dimethoxyphenyl)-6-ethoxycarbonyl-7-benzo[f][1,3]benzodioxolecarboxylic acid IUPAC Name: 5-(3,4-dimethoxyphenyl)-6-ethoxycarbonylbenzo[f][1,3]benzodioxole-7-carboxylic acid Traditional Name: 6-carbethoxy-5-(3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxole-7-carboxylic acid Formula: C23H20O8 MolecularWeight: 424.4001

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=C3C(=CC2=C1C4=CC(=C(C=C4)OC)OC)OCO3)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=C3C(=CC2=C1C4=CC(=C(C=C4)OC)OC)OCO3)C(=O)O

InChI

InChI=1S/C23H20O8/c1-4-29-23(26)21-15(22(24)25)7-13-9-18-19(31-11-30-18)10-14(13)20(21)12-5-6-16(27-2)17(8-12)28-3/h5-10H,4,11H2,1-3H3,(H,24,25)