2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)

C319H367F24N3O38S19+4 — CID 159667958

About 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) (PubChem CID 159667958) has the molecular formula C319H367F24N3O38S19+4 and a molecular weight of 5916.65 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)
• PubChem CID: 159667958
• Molecular Formula: C319H367F24N3O38S19+4
• Molecular Weight: 5916.65 g/mol
• Exact Mass: 5911.12
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)
• SMILES: CC(F)(F)COC(=O)C12CC3CC(CC(C3)C1)C2.COc1cccc([S+](c2cccc(CO)c2)c2cccc(CO)c2)c1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H35F9NO7S3.C27H36F6O6S2.2C24H36O3S.C21H21O3S.7C18H15S.C16H26.C14H17F5O5S.C14H20F2O2.C13H22N2O4S2.C12H16F2O5S/c29-25(30,26(31,32)46(39,40)38-47(41,42)28(35,36)37)27(33,34)48(43,44)45-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-24-18-7-4-10-21(13-18)25(19-8-2-5-16(11-19)14-22)20-9-3-6-17(12-20)15-23;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;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;1-13(15,16)8-18-12(17)14-5-9-2-10(6-14)4-11(3-9)7-14;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6/h16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);2*16-20H,1-15H2,(H,25,26,27);2-13,22-23H,14-15H2,1H3;7*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);9-11H,2-8H2,1H3;11-12H,1-10H2;6-10H,1-5H2,(H,16,17,18)/q-1;;;;8*+1;;;;;/p-3
• InChIKey: MTQQVUKYMMTLRN-UHFFFAOYSA-K
• XLogP: 83.36
• TPSA: 682.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 70
• Heavy Atoms: 403
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5916.65
LogP ≤ 5	83.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) (CID 159667958) is 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) is CC(F)(F)COC(=O)C12CC3CC(CC(C3)C1)C2.COc1cccc([S+](c2cccc(CO)c2)c2cccc(CO)c2)c1.Cc1c(C(C)C)cc(C(C)C)cc1C(C)C.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.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.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-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)?

The InChIKey is MTQQVUKYMMTLRN-UHFFFAOYSA-K. The full InChI is InChI=1S/C28H35F9NO7S3.C27H36F6O6S2.2C24H36O3S.C21H21O3S.7C18H15S.C16H26.C14H17F5O5S.C14H20F2O2.C13H22N2O4S2.C12H16F2O5S/c29-25(30,26(31,32)46(39,40)38-47(41,42)28(35,36)37)27(33,34)48(43,44)45-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;1-24-18-7-4-10-21(13-18)25(19-8-2-5-16(11-19)14-22)20-9-3-6-17(12-20)15-23;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2)14-8-15(11(3)4)13(7)16(9-14)12(5)6;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;1-13(15,16)8-18-12(17)14-5-9-2-10(6-14)4-11(3-9)7-14;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6/h16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);2*16-20H,1-15H2,(H,25,26,27);2-13,22-23H,14-15H2,1H3;7*1-15H;8-12H,1-7H3;7-10H,1-6H2,(H,21,22,23);9-11H,2-8H2,1H3;11-12H,1-10H2;6-10H,1-5H2,(H,16,17,18)/q-1;;;;8*+1;;;;;/p-3.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)?

2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) has a molecular weight of 5916.65 g/mol, XLogP of 83.36, 70 rotatable bonds, 4 hydrogen bond donors, and 36 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-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;bis[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfanium;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;2,2-difluoropropyl adamantane-1-carboxylate;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;2-methyl-1,3,5-tri(propan-2-yl)benzene;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) is sourced from PubChem (CID 159667958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).