[3-(2-chloranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate

Systemtic Name: [3-(2-chloranylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chlorophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [3-(2-chlorophenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H20ClF3O5 MolecularWeight: 516.89291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4Cl

InChI

InChI=1S/C27H20ClF3O5/c1-26(2,3)16-10-8-15(9-11-16)25(33)34-17-12-13-18-21(14-17)36-24(27(29,30)31)23(22(18)32)35-20-7-5-4-6-19(20)28/h4-14H,1-3H3