(4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate

Systemtic Name: (4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate Openeye Name: p-tolyl 4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(trifluoromethyl)ethyl]phenoxy]benzenesulfinate CAS Name: 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzenesulfinate Traditional Name: 4-[4-[2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(trifluoromethyl)ethyl]phenoxy]benzenesulfinic acid p-tolyl ester Formula: C29H22F6O4S MolecularWeight: 580.537999

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22F6O4S/c1-19-3-9-25(10-4-19)39-40(36)26-17-15-24(16-18-26)38-23-13-7-21(8-14-23)27(28(30,31)32,29(33,34)35)20-5-11-22(37-2)12-6-20/h3-18H,1-2H3