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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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