2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)

C153H155F15O26S10 — CID 157176905

About 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium) (PubChem CID 157176905) has the molecular formula C153H155F15O26S10 and a molecular weight of 3015.54 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)
• PubChem CID: 157176905
• Molecular Formula: C153H155F15O26S10
• Molecular Weight: 3015.54 g/mol
• Exact Mass: 3012.78
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)
• SMILES: O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C1C2CC3CC1CC(C(=O)OCC(F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1OC2C3CC(CC13)C2OCCC(F)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)COC1CC2CC1C1CCCC21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/5C18H15S.C14H17F3O6S.C13H17F3O5S.C13H19F3O4S.C12H15F3O6S.C11H17F3O5S/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-10(14(16,17)24(20,21)22)6-23-12(19)13-3-7-1-8(4-13)11(18)9(2-7)5-13;14-10(13(15,16)22(18,19)20)21-11(17)12-4-7-1-8(5-12)3-9(2-7)6-12;14-12(13(15,16)21(17,18)19)6-20-11-5-7-4-10(11)9-3-1-2-8(7)9;13-8(12(14,15)22(17,18)19)1-2-20-9-5-3-6-7(4-5)11(16)21-10(6)9;12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8/h5*1-15H;7-10H,1-6H2,(H,20,21,22);7-10H,1-6H2,(H,18,19,20);7-12H,1-6H2,(H,17,18,19);5-10H,1-4H2,(H,17,18,19);8-9H,1-7H2,(H,16,17,18)/q5*+1;;;;;/p-5
• InChIKey: AOCRJMWSTNDJKY-UHFFFAOYSA-I
• XLogP: 32.59
• TPSA: 426.73 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 41
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3015.54
LogP ≤ 5	32.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium) (CID 157176905) is 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium) is O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C1C2CC3CC1CC(C(=O)OCC(F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1OC2C3CC(CC13)C2OCCC(F)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)COC1CC2CC1C1CCCC21.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)?

The InChIKey is AOCRJMWSTNDJKY-UHFFFAOYSA-I. The full InChI is InChI=1S/5C18H15S.C14H17F3O6S.C13H17F3O5S.C13H19F3O4S.C12H15F3O6S.C11H17F3O5S/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-10(14(16,17)24(20,21)22)6-23-12(19)13-3-7-1-8(4-13)11(18)9(2-7)5-13;14-10(13(15,16)22(18,19)20)21-11(17)12-4-7-1-8(5-12)3-9(2-7)6-12;14-12(13(15,16)21(17,18)19)6-20-11-5-7-4-10(11)9-3-1-2-8(7)9;13-8(12(14,15)22(17,18)19)1-2-20-9-5-3-6-7(4-5)11(16)21-10(6)9;12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8/h5*1-15H;7-10H,1-6H2,(H,20,21,22);7-10H,1-6H2,(H,18,19,20);7-12H,1-6H2,(H,17,18,19);5-10H,1-4H2,(H,17,18,19);8-9H,1-7H2,(H,16,17,18)/q5*+1;;;;;/p-5.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium) has a molecular weight of 3015.54 g/mol, XLogP of 32.59, 41 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,2-trifluoro-4-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]butane-1-sulfonate;1,1,2-trifluoro-3-(8-tricyclo[5.2.1.02,6]decanyloxy)propane-1-sulfonate;pentakis(triphenylsulfanium) is sourced from PubChem (CID 157176905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).