dimethyl 9-(4-fluorophenyl)-6-oxidanyl-benzo[g][1,3]benzodioxole-7,8-dicarboxylate

Systemtic Name: dimethyl 9-(4-fluorophenyl)-6-oxidanyl-benzo[g][1,3]benzodioxole-7,8-dicarboxylate Openeye Name: dimethyl 9-(4-fluorophenyl)-6-hydroxy-benzo[g][1,3]benzodioxole-7,8-dicarboxylate CAS Name: 9-(4-fluorophenyl)-6-hydroxybenzo[g][1,3]benzodioxole-7,8-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 9-(4-fluorophenyl)-6-hydroxybenzo[g][1,3]benzodioxole-7,8-dicarboxylate Traditional Name: 9-(4-fluorophenyl)-6-hydroxy-benzo[g][1,3]benzodioxole-7,8-dicarboxylic acid dimethyl ester Formula: C21H15FO7 MolecularWeight: 398.338003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=CC3=C2OCO3)C(=C1C(=O)OC)O)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(C2=C(C=CC3=C2OCO3)C(=C1C(=O)OC)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15FO7/c1-26-20(24)16-14(10-3-5-11(22)6-4-10)15-12(18(23)17(16)21(25)27-2)7-8-13-19(15)29-9-28-13/h3-8,23H,9H2,1-2H3