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

Systemtic Name: [3-(4-methoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-bromanylbenzoate Openeye Name: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-methoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-keto-3-(4-methoxyphenyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C24H14BrF3O5 MolecularWeight: 519.26417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H14BrF3O5/c1-31-16-8-4-13(5-9-16)20-21(29)18-11-10-17(12-19(18)33-22(20)24(26,27)28)32-23(30)14-2-6-15(25)7-3-14/h2-12H,1H3