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

Systemtic Name: [3-(4-chloranyl-3,5-dimethyl-phenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate Openeye Name: [3-(4-chloro-3,5-dimethyl-phenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-methylbenzoate CAS Name: 2-methylbenzoic 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] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [3-(4-chloro-3,5-dimethyl-phenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H18ClF3O5 MolecularWeight: 502.86633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C(=C4)C)Cl)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC(=C(C(=C4)C)Cl)C

InChI

InChI=1S/C26H18ClF3O5/c1-13-6-4-5-7-18(13)25(32)34-16-8-9-19-20(12-16)35-24(26(28,29)30)23(22(19)31)33-17-10-14(2)21(27)15(3)11-17/h4-12H,1-3H3