3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)

C148H172F19NO17S9+2 — CID 159788922

About 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium) (PubChem CID 159788922) has the molecular formula C148H172F19NO17S9+2 and a molecular weight of 2886.56 g/mol. Its IUPAC name is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)
• PubChem CID: 159788922
• Molecular Formula: C148H172F19NO17S9+2
• Molecular Weight: 2886.56 g/mol
• Exact Mass: 2883.98
• IUPAC Name: 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)
• SMILES: CC(C)(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(F)(F)C(F)(F)CCOC(=O)C1CCCCC1.CCC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)CC1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C18H23OS.3C18H15S.C16H21F5O2.C12H17F6NO5S2.C12H18F4O2.2C9H14F2O3S/c1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-15(17,18)12(16(19,20)21)23-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;1-11(13,14)12(15,16)7-8-18-10(17)9-5-3-2-4-6-9;2*10-9(11,15(12,13)14)5-8-4-6-1-2-7(8)3-6/h4-5,8-11H,6-7,12-13H2,1-3H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;9-12H,2-8H2,1H3;8-9H,1-7H2,(H,22,23,24);9H,2-8H2,1H3;2*6-8H,1-5H2,(H,12,13,14)/q5*+1;;;;;/p-3
• InChIKey: NIHOWDIEHSVCKD-UHFFFAOYSA-K
• XLogP: 38.53
• TPSA: 280.04 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 36
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2886.56
LogP ≤ 5	38.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)?

The IUPAC name of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium) (CID 159788922) is 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium).

What is the SMILES notation for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)?

The canonical SMILES for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium) is CC(C)(C)Oc1ccc([S+]2CCCC2)c2ccccc12.CC(F)(F)C(F)(F)CCOC(=O)C1CCCCC1.CCC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)CC1CC2CCC1C2.O=S(=O)([O-])C(F)(F)CC1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)?

The InChIKey is NIHOWDIEHSVCKD-UHFFFAOYSA-K. The full InChI is InChI=1S/2C18H23OS.3C18H15S.C16H21F5O2.C12H17F6NO5S2.C12H18F4O2.2C9H14F2O3S/c1-18(2,3)19-16-10-11-17(20-12-6-7-13-20)15-9-5-4-8-14(15)16;1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-15(17,18)12(16(19,20)21)23-13(22)14-6-9-3-10(7-14)5-11(4-9)8-14;13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;1-11(13,14)12(15,16)7-8-18-10(17)9-5-3-2-4-6-9;2*10-9(11,15(12,13)14)5-8-4-6-1-2-7(8)3-6/h4-5,8-11H,6-7,12-13H2,1-3H3;4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;9-12H,2-8H2,1H3;8-9H,1-7H2,(H,22,23,24);9H,2-8H2,1H3;2*6-8H,1-5H2,(H,12,13,14)/q5*+1;;;;;/p-3.

What are the key properties of 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium)?

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium) has a molecular weight of 2886.56 g/mol, XLogP of 38.53, 36 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-[4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]thiolan-1-ium;1,1,1,3,3-pentafluoropentan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;tris(triphenylsulfanium) is sourced from PubChem (CID 159788922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).