2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)

C121H120F14O24S8 — CID 158503286

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) (PubChem CID 158503286) has the molecular formula C121H120F14O24S8 and a molecular weight of 2480.77 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
• PubChem CID: 158503286
• Molecular Formula: C121H120F14O24S8
• Molecular Weight: 2480.77 g/mol
• Exact Mass: 2478.57
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)
• SMILES: CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(C[S+]1CCCC1)c1ccccc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCCOc1cccc2c(O)cccc12)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H23OS.2C18H15S.C14H17F5O5S.C14H9F5O5S.C14H12F2O7S.C13H18F2O5S.C12H15OS/c1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-6-5-8-3-1-2-4-9(8)7-10;15-14(16,24(19,20)21)13(18)23-8-7-22-12-6-2-3-9-10(12)4-1-5-11(9)17;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;7-10H,1-6H2,(H,21,22,23);1-7,12H,(H,21,22,23);1-6,17H,7-8H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);1-3,6-7H,4-5,8-10H2/q3*+1;;;;;+1/p-4
• InChIKey: HKDWXMYXWSXPQL-UHFFFAOYSA-J
• XLogP: 26.00
• TPSA: 389.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2480.77
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) (CID 158503286) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) is CCCCOc1ccc([S+]2CCCC2)c2ccccc12.O=C(C[S+]1CCCC1)c1ccccc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccc2ccccc2c1.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=C(OCCOc1cccc2c(O)cccc12)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?

The InChIKey is HKDWXMYXWSXPQL-UHFFFAOYSA-J. The full InChI is InChI=1S/C18H23OS.2C18H15S.C14H17F5O5S.C14H9F5O5S.C14H12F2O7S.C13H18F2O5S.C12H15OS/c1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;15-13(16,17)12(14(18,19)25(21,22)23)24-11(20)10-6-5-8-3-1-2-4-9(8)7-10;15-14(16,24(19,20)21)13(18)23-8-7-22-12-6-2-3-9-10(12)4-1-5-11(9)17;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11/h4-5,8-11H,2-3,6-7,12-14H2,1H3;2*1-15H;7-10H,1-6H2,(H,21,22,23);1-7,12H,(H,21,22,23);1-6,17H,7-8H2,(H,19,20,21);8-10H,1-7H2,(H,17,18,19);1-3,6-7H,4-5,8-10H2/q3*+1;;;;;+1/p-4.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) has a molecular weight of 2480.77 g/mol, XLogP of 26.00, 32 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1,3,3,3-pentafluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;bis(triphenylsulfanium) is sourced from PubChem (CID 158503286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).