diethyl 5-(3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxole-6,7-dicarboxylate

Systemtic Name: diethyl 5-(3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxole-6,7-dicarboxylate Openeye Name: diethyl 5-(3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxole-6,7-dicarboxylate CAS Name: 5-(3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxole-6,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxole-6,7-dicarboxylate Traditional Name: 5-(3,4-dimethoxyphenyl)benzo[f][1,3]benzodioxole-6,7-dicarboxylic acid diethyl ester Formula: C25H24O8 MolecularWeight: 452.45326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O8/c1-5-30-24(26)17-9-15-11-20-21(33-13-32-20)12-16(15)22(23(17)25(27)31-6-2)14-7-8-18(28-3)19(10-14)29-4/h7-12H,5-6,13H2,1-4H3