[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-bromanylbenzoate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-bromanylbenzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H16BrF3O6 MolecularWeight: 549.29015

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F)OC

InChI

InChI=1S/C25H16BrF3O6/c1-32-18-9-6-13(11-20(18)33-2)21-22(30)17-8-7-16(12-19(17)35-23(21)25(27,28)29)34-24(31)14-4-3-5-15(26)10-14/h3-12H,1-2H3