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

Systemtic Name: [3-(2-bromanylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(2-bromophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H12BrF3O7 MolecularWeight: 549.24709

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=C(O4)C(F)(F)F)OC5=CC=CC=C5Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=O)C(=C(O4)C(F)(F)F)OC5=CC=CC=C5Br

InChI

InChI=1S/C24H12BrF3O7/c25-15-3-1-2-4-16(15)34-21-20(29)14-7-6-13(10-18(14)35-22(21)24(26,27)28)33-23(30)12-5-8-17-19(9-12)32-11-31-17/h1-10H,11H2