Название: 4-methyl-2-(5-trifluoromethanesulfonyloxy-4′-trifluoromethyl-biphenyl-3-yl)-pentanoic acid ethyl ester

IUPAC: ethyl 4-methyl-2-[3-[4-(trifluoromethyl)phenyl]-5-(trifluoromethylsulfonyloxy)phenyl]pentanoate

SMILES: CCOC(=O)C(CC(C)C)c1cc(OS(=O)(=O)C(F)(F)F)cc(-c2ccc(C(F)(F)F)cc2)c1

Canonical SMILES: CCOC(=O)C(CC(C)C)C1=CC(=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)OS(=O)(=O)C(F)(F)F

Молекулярная формула: C22H22F6O5S

Молекулярная масса: 512.50

InChIKey: SDESUTGCIVFQMJ-UHFFFAOYSA-N

InChI:

InChI=1S/C22H22F6O5S/c1-4-32-20(29)19(9-13(2)3)16-10-15(14-5-7-17(8-6-14)21(23,24)25)11-18(12-16)33-34(30,31)22(26,27)28/h5-8,10-13,19H,4,9H2,1-3H3

Синонимы

4-Methyl-2-(5-trifluoromethanesulfonyloxy-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acid ethyl esterSCHEMBL477879

Расширенный поиск