[3-(4-ethoxycarbonylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(4-ethoxycarbonylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-ethoxycarbonylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(4-carbethoxyphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H17F3O9 MolecularWeight: 542.41369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5)C(F)(F)F

InChI

InChI=1S/C27H17F3O9/c1-2-34-25(32)14-3-6-16(7-4-14)37-23-22(31)18-9-8-17(12-20(18)39-24(23)27(28,29)30)38-26(33)15-5-10-19-21(11-15)36-13-35-19/h3-12H,2,13H2,1H3