[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[3-methyl-4-(phenylsulfonyloxy)phenyl]propan-2-yl]-2-methyl-phenyl] benzenesulfonate

Systemtic Name: [4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-[3-methyl-4-(phenylsulfonyloxy)phenyl]propan-2-yl]-2-methyl-phenyl] benzenesulfonate Openeye Name: [4-[1-[4-(benzenesulfonyloxy)-3-methyl-phenyl]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[2-[4-(benzenesulfonyloxy)-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl] ester IUPAC Name: [4-[2-[4-(benzenesulfonyloxy)-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[1-(4-besyloxy-3-methyl-phenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-methyl-phenyl] ester Formula: C29H22F6O6S2 MolecularWeight: 644.601799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22F6O6S2/c1-19-17-21(13-15-25(19)40-42(36,37)23-9-5-3-6-10-23)27(28(30,31)32,29(33,34)35)22-14-16-26(20(2)18-22)41-43(38,39)24-11-7-4-8-12-24/h3-18H,1-2H3