[3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate

Systemtic Name: [3-(2,5-dimethylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [3-(2,5-dimethylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H16BrF3O5 MolecularWeight: 533.29075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C25H16BrF3O5/c1-13-3-4-14(2)19(11-13)33-22-21(30)18-10-9-17(12-20(18)34-23(22)25(27,28)29)32-24(31)15-5-7-16(26)8-6-15/h3-12H,1-2H3