3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate

C167H134F26O30S12 — CID 159460491

About 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate

3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate (PubChem CID 159460491) has the molecular formula C167H134F26O30S12 and a molecular weight of 3499.63 g/mol. Its IUPAC name is 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate.

Molecular Properties

• Compound Name: 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate
• PubChem CID: 159460491
• Molecular Formula: C167H134F26O30S12
• Molecular Weight: 3499.63 g/mol
• Exact Mass: 3496.52
• IUPAC Name: 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate
• SMILES: CC(C(F)(F)F)(C(F)(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)S(=O)(=O)[O-].CC(COC(=O)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)(C(F)(F)F)S(=O)(=O)[O-].CC(COC(=O)c1ccc2cc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)ccc2c1)(C(F)(F)F)S(=O)(=O)[O-].CC(COC(=O)c1cccc2c(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cccc12)(C(F)(F)F)S(=O)(=O)[O-].O=S(=O)([O-])C(C(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)F.O=S(=O)([O-])C(F)(C(F)(F)F)C(F)(F)C(F)(F)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C33H25F3O6S2.C29H23F3O6S2.C25H20F8O4S2.C24H21F5O4S2.C23H20F4O4S2/c1-32(33(34,35)36,44(38,39)40)22-41-31(37)29-16-8-15-28-27(29)14-9-17-30(28)42-23-18-20-26(21-19-23)43(24-10-4-2-5-11-24)25-12-6-3-7-13-25;1-32(33(34,35)36,44(38,39)40)22-41-31(37)25-13-12-24-21-27(15-14-23(24)20-25)42-26-16-18-30(19-17-26)43(28-8-4-2-5-9-28)29-10-6-3-7-11-29;1-28(29(30,31)32,40(34,35)36)20-37-27(33)21-12-14-22(15-13-21)38-23-16-18-26(19-17-23)39(24-8-4-2-5-9-24)25-10-6-3-7-11-25;26-22(27,23(28,29)24(30,25(31,32)33)39(34,35)36)16-7-17-37-18-12-14-21(15-13-18)38(19-8-3-1-4-9-19)20-10-5-2-6-11-20;1-22(24(27,28)29,35(30,31)32)23(25,26)16-17-33-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;24-21(22(23(25,26)27)33(28,29)30)15-16-31-17-11-13-20(14-12-17)32(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h2*2-21H,22H2,1H3;2-19H,20H2,1H3;1-6,8-15H,7,16-17H2;2-15H,16-17H2,1H3;1-14,21-22H,15-16H2
• InChIKey: LUNLQZDINRWTLK-UHFFFAOYSA-N
• XLogP: 40.50
• TPSA: 477.48 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 56
• Heavy Atoms: 235
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3499.63
LogP ≤ 5	40.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?

The IUPAC name of 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate (CID 159460491) is 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate.

What is the SMILES notation for 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?

The canonical SMILES for 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate is CC(C(F)(F)F)(C(F)(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)S(=O)(=O)[O-].CC(COC(=O)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)(C(F)(F)F)S(=O)(=O)[O-].CC(COC(=O)c1ccc2cc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)ccc2c1)(C(F)(F)F)S(=O)(=O)[O-].CC(COC(=O)c1cccc2c(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cccc12)(C(F)(F)F)S(=O)(=O)[O-].O=S(=O)([O-])C(C(F)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)F.O=S(=O)([O-])C(F)(C(F)(F)F)C(F)(F)C(F)(F)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?

The InChIKey is LUNLQZDINRWTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H25F3O6S2.C29H23F3O6S2.C25H20F8O4S2.C24H21F5O4S2.C23H20F4O4S2/c1-32(33(34,35)36,44(38,39)40)22-41-31(37)29-16-8-15-28-27(29)14-9-17-30(28)42-23-18-20-26(21-19-23)43(24-10-4-2-5-11-24)25-12-6-3-7-13-25;1-32(33(34,35)36,44(38,39)40)22-41-31(37)25-13-12-24-21-27(15-14-23(24)20-25)42-26-16-18-30(19-17-26)43(28-8-4-2-5-9-28)29-10-6-3-7-11-29;1-28(29(30,31)32,40(34,35)36)20-37-27(33)21-12-14-22(15-13-21)38-23-16-18-26(19-17-23)39(24-8-4-2-5-9-24)25-10-6-3-7-11-25;26-22(27,23(28,29)24(30,25(31,32)33)39(34,35)36)16-7-17-37-18-12-14-21(15-13-18)38(19-8-3-1-4-9-19)20-10-5-2-6-11-20;1-22(24(27,28)29,35(30,31)32)23(25,26)16-17-33-18-12-14-21(15-13-18)34(19-8-4-2-5-9-19)20-10-6-3-7-11-20;24-21(22(23(25,26)27)33(28,29)30)15-16-31-17-11-13-20(14-12-17)32(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h2*2-21H,22H2,1H3;2-19H,20H2,1H3;1-6,8-15H,7,16-17H2;2-15H,16-17H2,1H3;1-14,21-22H,15-16H2.

What are the key properties of 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate?

3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate has a molecular weight of 3499.63 g/mol, XLogP of 40.50, 56 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;3-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1,1-trifluoro-2-methylpropane-2-sulfonate;7-(4-diphenylsulfoniophenoxy)-1,1,1,2,3,3,4,4-octafluoroheptane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3,3-pentafluoro-2-methylpentane-2-sulfonate;5-(4-diphenylsulfoniophenoxy)-1,1,1,3-tetrafluoropentane-2-sulfonate is sourced from PubChem (CID 159460491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).