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

Systemtic Name: [3-(3-methoxyphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Openeye Name: [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(3-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-keto-3-(3-methoxyphenoxy)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H23F3O6 MolecularWeight: 512.47383

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=C4)OC

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=C4)OC

InChI

InChI=1S/C28H23F3O6/c1-27(2,3)17-10-8-16(9-11-17)26(33)36-20-12-13-21-22(15-20)37-25(28(29,30)31)24(23(21)32)35-19-7-5-6-18(14-19)34-4/h5-15H,1-4H3