2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium

C120H153F17O20S3 — CID 158338068

About 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium

2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium (PubChem CID 158338068) has the molecular formula C120H153F17O20S3 and a molecular weight of 2334.69 g/mol. Its IUPAC name is 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium.

Molecular Properties

• Compound Name: 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium
• PubChem CID: 158338068
• Molecular Formula: C120H153F17O20S3
• Molecular Weight: 2334.69 g/mol
• Exact Mass: 2332.98
• IUPAC Name: 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium
• SMILES: C=C(OC1(C(C)C)CCCC1)C(C)(C)CC.CC(C)(C)c1ccc([S+](c2ccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(O)(C(=O)[O-])C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)c1ccc2cc(OC(=O)C(F)(F)F)ccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C29H31F5O4S2.C18H15S.C16H15F3O2.C16H26O3.C15H28O.C12H18F6O3.C10H16O4.C4H5F3O3/c1-26(2,3)19-7-13-22(14-8-19)39(23-15-9-20(10-16-23)27(4,5)6)24-17-11-21(12-18-24)38-25(28(30,31)32)29(33,34)40(35,36)37;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10(2)11-4-5-13-9-14(7-6-12(13)8-11)21-15(20)16(17,18)19;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-7-14(5,6)13(4)16-15(12(2)3)10-8-9-11-15;1-6-8(2,3)7(19)21-9(4,5)10(20,11(13,14)15)12(16,17)18;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-3(10,2(8)9)4(5,6)7/h7-18,25H,1-6H3;1-15H;4-10H,3H2,1-2H3;11-12,18H,4-10H2,1-3H3;12H,4,7-11H2,1-3,5-6H3;20H,6H2,1-5H3;7H,4-6H2,1-3H3;10H,1H3,(H,8,9)/q;+1;;;;;;/p-1
• InChIKey: GQVCGZVBTXTXJL-UHFFFAOYSA-M
• XLogP: 29.33
• TPSA: 307.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2334.69
LogP ≤ 5	29.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium?

The IUPAC name of 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium (CID 158338068) is 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium.

What is the SMILES notation for 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium?

The canonical SMILES for 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium is C=C(OC1(C(C)C)CCCC1)C(C)(C)CC.CC(C)(C)c1ccc([S+](c2ccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(O)(C(=O)[O-])C(F)(F)F.CCC(C)(C)C(=O)OC(C)(C)C(O)(C(F)(F)F)C(F)(F)F.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)c1ccc2cc(OC(=O)C(F)(F)F)ccc2c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium?

The InChIKey is GQVCGZVBTXTXJL-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H31F5O4S2.C18H15S.C16H15F3O2.C16H26O3.C15H28O.C12H18F6O3.C10H16O4.C4H5F3O3/c1-26(2,3)19-7-13-22(14-8-19)39(23-15-9-20(10-16-23)27(4,5)6)24-17-11-21(12-18-24)38-25(28(30,31)32)29(33,34)40(35,36)37;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-10(2)11-4-5-13-9-14(7-6-12(13)8-11)21-15(20)16(17,18)19;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-7-14(5,6)13(4)16-15(12(2)3)10-8-9-11-15;1-6-8(2,3)7(19)21-9(4,5)10(20,11(13,14)15)12(16,17)18;1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-3(10,2(8)9)4(5,6)7/h7-18,25H,1-6H3;1-15H;4-10H,3H2,1-2H3;11-12,18H,4-10H2,1-3H3;12H,4,7-11H2,1-3,5-6H3;20H,6H2,1-5H3;7H,4-6H2,1-3H3;10H,1H3,(H,8,9)/q;+1;;;;;;/p-1.

What are the key properties of 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium?

2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium has a molecular weight of 2334.69 g/mol, XLogP of 29.33, 29 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;(6-butan-2-ylnaphthalen-2-yl) 2,2,2-trifluoroacetate;1-(3,3-dimethylpent-1-en-2-yloxy)-1-propan-2-ylcyclopentane;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(2-oxooxolan-3-yl) 2,2-dimethylbutanoate;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;[4,4,4-trifluoro-3-hydroxy-2-methyl-3-(trifluoromethyl)butan-2-yl] 2,2-dimethylbutanoate;triphenylsulfanium is sourced from PubChem (CID 158338068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).