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

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 3-bromanylbenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-chloro-3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C25H15BrClF3O5 MolecularWeight: 567.73581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CC=C4)Br)C(F)(F)F

InChI

InChI=1S/C25H15BrClF3O5/c1-12-8-17(9-13(2)20(12)27)33-22-21(31)18-7-6-16(11-19(18)35-23(22)25(28,29)30)34-24(32)14-4-3-5-15(26)10-14/h3-11H,1-2H3