3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate

C142H128F30O42S17 — CID 159950726

About 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate

3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate (PubChem CID 159950726) has the molecular formula C142H128F30O42S17 and a molecular weight of 3621.62 g/mol. Its IUPAC name is 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate.

Molecular Properties

• Compound Name: 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate
• PubChem CID: 159950726
• Molecular Formula: C142H128F30O42S17
• Molecular Weight: 3621.62 g/mol
• Exact Mass: 3618.27
• IUPAC Name: 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate
• SMILES: C=CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)C1Cc2ccccc2C1=O.CCCC[S+](c1cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c1)C(C)(C)C(=O)c1ccc(C2CCCCC2)cc1.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.O=C(CCOC(=O)c1cccc([S+](c2ccccc2)c2ccccc2)c1)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(F)(F)S(=O)(=O)[O-])c1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+]2CCCC2)c1.O=S(=O)([O-])C(F)(F)C(Oc1cc([S+]2CCCC2)c2ccccc2c1)C(F)(F)F
• InChI: InChI=1S/C29H34F6O7S3.C24H20F2O7S2.C21H17F5O5S2.C20H14F2O5S2.C18H16F4O8S3.C17H15F5O4S2.C13H12F6O6S3/c1-4-5-18-43(26(2,3)25(36)22-16-14-21(15-17-22)20-10-7-6-8-11-20)24-13-9-12-23(19-24)42-45(40,41)29(34,35)27(30,31)28(32,33)44(37,38)39;25-24(26,35(29,30)31)17-33-22(27)14-15-32-23(28)18-8-7-13-21(16-18)34(19-9-3-1-4-10-19)20-11-5-2-6-12-20;1-2-10-32(17-11-13-6-3-4-9-16(13)18(17)27)15-8-5-7-14(12-15)31-19(20(22,23)24)21(25,26)33(28,29)30;21-20(22,29(24,25)26)27-19(23)15-8-7-13-18(14-15)28(16-9-3-1-4-10-16)17-11-5-2-6-12-17;1-12(16(23)29-2)31(14-6-4-3-5-7-14)15-10-8-13(9-11-15)30-33(27,28)18(21,22)17(19,20)32(24,25)26;18-16(19,20)15(17(21,22)28(23,24)25)26-12-9-11-5-1-2-6-13(11)14(10-12)27-7-3-4-8-27;14-11(15,12(16,17)27(20,21)22)13(18,19)28(23,24)25-9-4-3-5-10(8-9)26-6-1-2-7-26/h9,12-17,19-20H,4-8,10-11,18H2,1-3H3;1-13,16H,14-15,17H2;2-9,12,17,19H,1,10-11H2;1-14H;3-12H,1-2H3;1-2,5-6,9-10,15H,3-4,7-8H2;3-5,8H,1-2,6-7H2
• InChIKey: OCBQBAHHUVFRCD-UHFFFAOYSA-N
• XLogP: 28.71
• TPSA: 688.31 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 59
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3621.62
LogP ≤ 5	28.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?

The IUPAC name of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate (CID 159950726) is 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate.

What is the SMILES notation for 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?

The canonical SMILES for 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate is C=CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)C1Cc2ccccc2C1=O.CCCC[S+](c1cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c1)C(C)(C)C(=O)c1ccc(C2CCCCC2)cc1.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.O=C(CCOC(=O)c1cccc([S+](c2ccccc2)c2ccccc2)c1)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(F)(F)S(=O)(=O)[O-])c1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+]2CCCC2)c1.O=S(=O)([O-])C(F)(F)C(Oc1cc([S+]2CCCC2)c2ccccc2c1)C(F)(F)F.

What is the InChIKey of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?

The InChIKey is OCBQBAHHUVFRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F6O7S3.C24H20F2O7S2.C21H17F5O5S2.C20H14F2O5S2.C18H16F4O8S3.C17H15F5O4S2.C13H12F6O6S3/c1-4-5-18-43(26(2,3)25(36)22-16-14-21(15-17-22)20-10-7-6-8-11-20)24-13-9-12-23(19-24)42-45(40,41)29(34,35)27(30,31)28(32,33)44(37,38)39;25-24(26,35(29,30)31)17-33-22(27)14-15-32-23(28)18-8-7-13-21(16-18)34(19-9-3-1-4-10-19)20-11-5-2-6-12-20;1-2-10-32(17-11-13-6-3-4-9-16(13)18(17)27)15-8-5-7-14(12-15)31-19(20(22,23)24)21(25,26)33(28,29)30;21-20(22,29(24,25)26)27-19(23)15-8-7-13-18(14-15)28(16-9-3-1-4-10-16)17-11-5-2-6-12-17;1-12(16(23)29-2)31(14-6-4-3-5-7-14)15-10-8-13(9-11-15)30-33(27,28)18(21,22)17(19,20)32(24,25)26;18-16(19,20)15(17(21,22)28(23,24)25)26-12-9-11-5-1-2-6-13(11)14(10-12)27-7-3-4-8-27;14-11(15,12(16,17)27(20,21)22)13(18,19)28(23,24)25-9-4-3-5-10(8-9)26-6-1-2-7-26/h9,12-17,19-20H,4-8,10-11,18H2,1-3H3;1-13,16H,14-15,17H2;2-9,12,17,19H,1,10-11H2;1-14H;3-12H,1-2H3;1-2,5-6,9-10,15H,3-4,7-8H2;3-5,8H,1-2,6-7H2.

What are the key properties of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?

3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate has a molecular weight of 3621.62 g/mol, XLogP of 28.71, 59 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;(3-diphenylsulfoniobenzoyl)oxy-difluoromethanesulfonate;2-[3-(3-diphenylsulfoniobenzoyl)oxypropanoyloxy]-1,1-difluoroethanesulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-(thiolan-1-ium-1-yl)naphthalen-2-yl]oxypropane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate is sourced from PubChem (CID 159950726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).