4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium

C154H163F8O21S8+ — CID 158281317

About 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium

4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium (PubChem CID 158281317) has the molecular formula C154H163F8O21S8+ and a molecular weight of 2758.50 g/mol. Its IUPAC name is 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium.

Molecular Properties

• Compound Name: 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium
• PubChem CID: 158281317
• Molecular Formula: C154H163F8O21S8+
• Molecular Weight: 2758.50 g/mol
• Exact Mass: 2755.93
• IUPAC Name: 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium
• SMILES: CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(OCCCCCCOc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(OCCOCCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc2cc(OCCOc3c(F)c(F)c(S(=O)(=O)O)c(F)c3F)ccc2c1.CCC(C)c1cccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccccc1[S+](c1ccccc1C)c1ccccc1C.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H20F4O5S.C22H26F4O5S.C21H21S.C20H26O5S.C19H17S.C18H22O5S.C18H15S.C14H19OS/c1-3-12(2)13-4-5-15-11-16(7-6-14(15)10-13)30-8-9-31-21-17(23)19(25)22(32(27,28)29)20(26)18(21)24;1-3-14(2)15-8-10-16(11-9-15)30-12-6-4-5-7-13-31-21-17(23)19(25)22(32(27,28)29)20(26)18(21)24;1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-3-16(2)18-6-8-19(9-7-18)25-15-14-24-13-12-17-4-10-20(11-5-17)26(21,22)23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-3-14(2)15-5-4-6-17(13-15)23-12-11-22-16-7-9-18(10-8-16)24(19,20)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12/h4-7,10-12H,3,8-9H2,1-2H3,(H,27,28,29);8-11,14H,3-7,12-13H2,1-2H3,(H,27,28,29);4-15H,1-3H3;4-11,16H,3,12-15H2,1-2H3,(H,21,22,23);2-15H,1H3;4-10,13-14H,3,11-12H2,1-2H3,(H,19,20,21);1-15H;3-5,8-9H,6-7,10-11H2,1-2H3/q;;+1;;+1;;2*+1/p-3
• InChIKey: GKFZSVUBJFBLGI-UHFFFAOYSA-K
• XLogP: 37.24
• TPSA: 316.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 50
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2758.50
LogP ≤ 5	37.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium?

The IUPAC name of 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium (CID 158281317) is 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium.

What is the SMILES notation for 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium?

The canonical SMILES for 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CCC(C)c1ccc(OCCCCCCOc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)cc1.CCC(C)c1ccc(OCCOCCc2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc2cc(OCCOc3c(F)c(F)c(S(=O)(=O)O)c(F)c3F)ccc2c1.CCC(C)c1cccc(OCCOc2ccc(S(=O)(=O)[O-])cc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccccc1[S+](c1ccccc1C)c1ccccc1C.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium?

The InChIKey is GKFZSVUBJFBLGI-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H20F4O5S.C22H26F4O5S.C21H21S.C20H26O5S.C19H17S.C18H22O5S.C18H15S.C14H19OS/c1-3-12(2)13-4-5-15-11-16(7-6-14(15)10-13)30-8-9-31-21-17(23)19(25)22(32(27,28)29)20(26)18(21)24;1-3-14(2)15-8-10-16(11-9-15)30-12-6-4-5-7-13-31-21-17(23)19(25)22(32(27,28)29)20(26)18(21)24;1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;1-3-16(2)18-6-8-19(9-7-18)25-15-14-24-13-12-17-4-10-20(11-5-17)26(21,22)23;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-3-14(2)15-5-4-6-17(13-15)23-12-11-22-16-7-9-18(10-8-16)24(19,20)21;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12/h4-7,10-12H,3,8-9H2,1-2H3,(H,27,28,29);8-11,14H,3-7,12-13H2,1-2H3,(H,27,28,29);4-15H,1-3H3;4-11,16H,3,12-15H2,1-2H3,(H,21,22,23);2-15H,1H3;4-10,13-14H,3,11-12H2,1-2H3,(H,19,20,21);1-15H;3-5,8-9H,6-7,10-11H2,1-2H3/q;;+1;;+1;;2*+1/p-3.

What are the key properties of 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium?

4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium has a molecular weight of 2758.50 g/mol, XLogP of 37.24, 50 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(6-butan-2-ylnaphthalen-2-yl)oxyethoxy]-2,3,5,6-tetrafluorobenzenesulfonic acid;4-[2-(3-butan-2-ylphenoxy)ethoxy]benzenesulfonate;4-[2-[2-(4-butan-2-ylphenoxy)ethoxy]ethyl]benzenesulfonate;4-[6-(4-butan-2-ylphenoxy)hexoxy]-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;triphenylsulfanium;tris(2-methylphenyl)sulfanium is sourced from PubChem (CID 158281317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).