(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium

C107H118F15NO23S7 — CID 159090067

About (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium

(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium (PubChem CID 159090067) has the molecular formula C107H118F15NO23S7 and a molecular weight of 2295.54 g/mol. Its IUPAC name is (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium.

Molecular Properties

• Compound Name: (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium
• PubChem CID: 159090067
• Molecular Formula: C107H118F15NO23S7
• Molecular Weight: 2295.54 g/mol
• Exact Mass: 2293.59
• IUPAC Name: (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium
• SMILES: CCC(C)(C)C(=O)OC1C(=O)OC2C3OC(C)(C)OC3OC12.CCC(C)(C)C(=O)OC1CCCc2ccccc21.CCC(C)(C)c1ccc(O)cc1.CCC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H13S.C18H15S.C16H22O2.C15H15F9NO7S3.C15H22O7.C14H16F6O6S2.C11H16O/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-16(2,3)15(17)18-14-11-7-9-12-8-5-6-10-13(12)14;1-4-11(2,3)9-5-7-10(8-6-9)32-35(30,31)14(20,21)12(16,17)13(18,19)33(26,27)25-34(28,29)15(22,23)24;1-6-14(2,3)13(17)20-9-7-8(18-11(9)16)10-12(19-7)22-15(4,5)21-10;1-4-11(2,3)9-5-7-10(8-6-9)26-28(24,25)14(19,20)12(15,16)13(17,18)27(21,22)23;1-4-11(2,3)9-5-7-10(12)8-6-9/h1-13H;1-15H;5-6,8,10,14H,4,7,9,11H2,1-3H3;5-8H,4H2,1-3H3;7-10,12H,6H2,1-5H3;5-8H,4H2,1-3H3,(H,21,22,23);5-8,12H,4H2,1-3H3/q2*+1;;-1;;;/p-1
• InChIKey: KBYHUCSOLVDMQL-UHFFFAOYSA-M
• XLogP: 26.68
• TPSA: 353.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2295.54
LogP ≤ 5	26.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

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': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium?

The IUPAC name of (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium (CID 159090067) is (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium.

What is the SMILES notation for (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium?

The canonical SMILES for (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium is CCC(C)(C)C(=O)OC1C(=O)OC2C3OC(C)(C)OC3OC12.CCC(C)(C)C(=O)OC1CCCc2ccccc21.CCC(C)(C)c1ccc(O)cc1.CCC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium?

The InChIKey is KBYHUCSOLVDMQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13S.C18H15S.C16H22O2.C15H15F9NO7S3.C15H22O7.C14H16F6O6S2.C11H16O/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-16(2,3)15(17)18-14-11-7-9-12-8-5-6-10-13(12)14;1-4-11(2,3)9-5-7-10(8-6-9)32-35(30,31)14(20,21)12(16,17)13(18,19)33(26,27)25-34(28,29)15(22,23)24;1-6-14(2,3)13(17)20-9-7-8(18-11(9)16)10-12(19-7)22-15(4,5)21-10;1-4-11(2,3)9-5-7-10(8-6-9)26-28(24,25)14(19,20)12(15,16)13(17,18)27(21,22)23;1-4-11(2,3)9-5-7-10(12)8-6-9/h1-13H;1-15H;5-6,8,10,14H,4,7,9,11H2,1-3H3;5-8H,4H2,1-3H3;7-10,12H,6H2,1-5H3;5-8H,4H2,1-3H3,(H,21,22,23);5-8,12H,4H2,1-3H3/q2*+1;;-1;;;/p-1.

What are the key properties of (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium?

(4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium has a molecular weight of 2295.54 g/mol, XLogP of 26.68, 30 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (4,4-dimethyl-10-oxo-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-9-yl) 2,2-dimethylbutanoate;1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[4-(2-methylbutan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;4-(2-methylbutan-2-yl)phenol;5-phenyldibenzothiophen-5-ium;1,2,3,4-tetrahydronaphthalen-1-yl 2,2-dimethylbutanoate;triphenylsulfanium is sourced from PubChem (CID 159090067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).