3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate

C141H121F23O33S12 — CID 158344142

About 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate

3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate (PubChem CID 158344142) has the molecular formula C141H121F23O33S12 and a molecular weight of 3165.24 g/mol. Its IUPAC name is 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate.

Molecular Properties

• Compound Name: 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate
• PubChem CID: 158344142
• Molecular Formula: C141H121F23O33S12
• Molecular Weight: 3165.24 g/mol
• Exact Mass: 3162.41
• IUPAC Name: 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate
• SMILES: Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2cc(C)c(OCC(F)(C(F)F)S(=O)(=O)[O-])c(C)c2)c1.O=C(CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(C(Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(COc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1)C(F)F
• InChI: InChI=1S/C27H29F3O4S2.C25H23F3O6S2.C23H18F4O6S2.C23H19F3O6S2.C22H15F7O6S2.C21H17F3O5S2/c1-16-7-17(2)10-22(9-16)35(23-11-18(3)8-19(4)12-23)24-13-20(5)25(21(6)14-24)34-15-27(30,26(28)29)36(31,32)33;26-24(27)25(28,36(30,31)32)18-34-23(29)12-7-17-33-19-13-15-22(16-14-19)35(20-8-3-1-4-9-20)21-10-5-2-6-11-21;24-22(23(25,26)27,35(29,30)31)16-33-21(28)15-32-17-11-13-20(14-12-17)34(18-7-3-1-4-8-18)19-9-5-2-6-10-19;24-22(25)23(26,34(28,29)30)16-32-21(27)15-31-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19;23-20(22(27,28)29,37(32,33)34)19(21(24,25)26)35-15-5-11-18(12-6-15)36(16-7-1-13(30)2-8-16)17-9-3-14(31)4-10-17;22-20(23)21(24,31(26,27)28)14-29-16-8-12-19(13-9-16)30(17-4-2-1-3-5-17)18-10-6-15(25)7-11-18/h7-14,26H,15H2,1-6H3;1-6,8-11,13-16,24H,7,12,17-18H2;1-14H,15-16H2;1-14,22H,15-16H2;1-12,19H,(H2-,30,31,32,33,34);1-13,20H,14H2,(H-,25,26,27,28)
• InChIKey: GRNHJFSUERQDAQ-UHFFFAOYSA-N
• XLogP: 29.72
• TPSA: 538.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 54
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3165.24
LogP ≤ 5	29.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate?

The IUPAC name of 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate (CID 158344142) is 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate.

What is the SMILES notation for 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate?

The canonical SMILES for 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate is Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2cc(C)c(OCC(F)(C(F)F)S(=O)(=O)[O-])c(C)c2)c1.O=C(CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(C(Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(COc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1)C(F)F.

What is the InChIKey of 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate?

The InChIKey is GRNHJFSUERQDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3O4S2.C25H23F3O6S2.C23H18F4O6S2.C23H19F3O6S2.C22H15F7O6S2.C21H17F3O5S2/c1-16-7-17(2)10-22(9-16)35(23-11-18(3)8-19(4)12-23)24-13-20(5)25(21(6)14-24)34-15-27(30,26(28)29)36(31,32)33;26-24(27)25(28,36(30,31)32)18-34-23(29)12-7-17-33-19-13-15-22(16-14-19)35(20-8-3-1-4-9-20)21-10-5-2-6-11-21;24-22(23(25,26)27,35(29,30)31)16-33-21(28)15-32-17-11-13-20(14-12-17)34(18-7-3-1-4-8-18)19-9-5-2-6-10-19;24-22(25)23(26,34(28,29)30)16-32-21(27)15-31-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19;23-20(22(27,28)29,37(32,33)34)19(21(24,25)26)35-15-5-11-18(12-6-15)36(16-7-1-13(30)2-8-16)17-9-3-14(31)4-10-17;22-20(23)21(24,31(26,27)28)14-29-16-8-12-19(13-9-16)30(17-4-2-1-3-5-17)18-10-6-15(25)7-11-18/h7-14,26H,15H2,1-6H3;1-6,8-11,13-16,24H,7,12,17-18H2;1-14H,15-16H2;1-14,22H,15-16H2;1-12,19H,(H2-,30,31,32,33,34);1-13,20H,14H2,(H-,25,26,27,28).

What are the key properties of 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate?

3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate has a molecular weight of 3165.24 g/mol, XLogP of 29.72, 54 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate is sourced from PubChem (CID 158344142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).