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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-bromanylbenzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-bromobenzoate CAS Name: 2-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] 2-bromobenzoate Traditional Name: 2-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=C4Br)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=C4Br)C(F)(F)F)OC

InChI

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