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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)

C374H383F36NO58S25+6 — CID 159439880

IUPAC3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)
SMILESCOc1cccc([S+](c2cccc(CO)c2)c2cccc(OC)c2)c1.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)C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)O.O=C(OCCc1cccc2ccccc12)C(F)(F)S(=O)(=O)O.O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)O.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(C2CCCCC2)cc1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C27H36F6O6S2.2C24H36O3S.C21H21O3S.C18H13OS.2C18H13S.7C18H15S.C15H16F6O6S2.2C14H17F5O5S.C14H12F2O5S.C12H17F6NO5S2.C12H16F2O5S.C9H8F2O5S.C8H12F2O6S/c28-25(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;1-23-17-7-4-10-20(13-17)25(19-9-3-6-16(12-19)15-22)21-11-5-8-18(14-21)24-2;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-13(17,14(18,19)28(22,23)24)15(20,21)29(25,26)27-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*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;15-14(16,22(18,19)20)13(17)21-9-8-11-6-3-5-10-4-1-2-7-12(10)11;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;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11/h16-20H,1-15H2,(H,34,35,36);2*16-20H,1-15H2,(H,25,26,27);3-14,22H,15H2,1-2H3;1-13H;2*1-13H;7*1-15H;6-10H,1-5H2,(H,22,23,24);2*7-10H,1-6H2,(H,21,22,23);1-7H,8-9H2,(H,18,19,20);8-9H,1-7H2,(H,22,23,24);6-10H,1-5H2,(H,16,17,18);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15)/q;;;11*+1;;;;;;;;/p-5
InChIKeyLSANYWPUNJBMKO-UHFFFAOYSA-I
MW7305.73 g/mol
LogP93.57
Rot. Bonds82

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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) (PubChem CID 159439880) has the molecular formula C374H383F36NO58S25+6 and a molecular weight of 7305.73 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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium).

Molecular Properties

Compound Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)
PubChem CID159439880
Molecular FormulaC374H383F36NO58S25+6
Molecular Weight7305.73 g/mol
Exact Mass7298.95
IUPAC Name3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)
SMILESCOc1cccc([S+](c2cccc(CO)c2)c2cccc(OC)c2)c1.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)C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)O.O=C(OCCc1cccc2ccccc12)C(F)(F)S(=O)(=O)O.O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)O.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(C2CCCCC2)cc1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C27H36F6O6S2.2C24H36O3S.C21H21O3S.C18H13OS.2C18H13S.7C18H15S.C15H16F6O6S2.2C14H17F5O5S.C14H12F2O5S.C12H17F6NO5S2.C12H16F2O5S.C9H8F2O5S.C8H12F2O6S/c28-25(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;1-23-17-7-4-10-20(13-17)25(19-9-3-6-16(12-19)15-22)21-11-5-8-18(14-21)24-2;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-13(17,14(18,19)28(22,23)24)15(20,21)29(25,26)27-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*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;15-14(16,22(18,19)20)13(17)21-9-8-11-6-3-5-10-4-1-2-7-12(10)11;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;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11/h16-20H,1-15H2,(H,34,35,36);2*16-20H,1-15H2,(H,25,26,27);3-14,22H,15H2,1-2H3;1-13H;2*1-13H;7*1-15H;6-10H,1-5H2,(H,22,23,24);2*7-10H,1-6H2,(H,21,22,23);1-7H,8-9H2,(H,18,19,20);8-9H,1-7H2,(H,22,23,24);6-10H,1-5H2,(H,16,17,18);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15)/q;;;11*+1;;;;;;;;/p-5
InChIKeyLSANYWPUNJBMKO-UHFFFAOYSA-I
XLogP93.57
TPSA962.29 Ų
H-Bond Donors8
H-Bond Acceptors52
Rotatable Bonds82
Heavy Atoms494
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5007305.73
LogP ≤ 593.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1052

Analyze 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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) with MolForge

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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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) (CID 159439880) 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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) is COc1cccc([S+](c2cccc(CO)c2)c2cccc(OC)c2)c1.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)C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)O.O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)O.O=C(OCCc1cccc2ccccc12)C(F)(F)S(=O)(=O)O.O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)O.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(C2CCCCC2)cc1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+]2c3ccccc3Oc3ccccc32)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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium)?
The InChIKey is LSANYWPUNJBMKO-UHFFFAOYSA-I. The full InChI is InChI=1S/C27H36F6O6S2.2C24H36O3S.C21H21O3S.C18H13OS.2C18H13S.7C18H15S.C15H16F6O6S2.2C14H17F5O5S.C14H12F2O5S.C12H17F6NO5S2.C12H16F2O5S.C9H8F2O5S.C8H12F2O6S/c28-25(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;1-23-17-7-4-10-20(13-17)25(19-9-3-6-16(12-19)15-22)21-11-5-8-18(14-21)24-2;1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20;2*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-13(17,14(18,19)28(22,23)24)15(20,21)29(25,26)27-12-8-6-11(7-9-12)10-4-2-1-3-5-10;2*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;15-14(16,22(18,19)20)13(17)21-9-8-11-6-3-5-10-4-1-2-7-12(10)11;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;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11/h16-20H,1-15H2,(H,34,35,36);2*16-20H,1-15H2,(H,25,26,27);3-14,22H,15H2,1-2H3;1-13H;2*1-13H;7*1-15H;6-10H,1-5H2,(H,22,23,24);2*7-10H,1-6H2,(H,21,22,23);1-7H,8-9H2,(H,18,19,20);8-9H,1-7H2,(H,22,23,24);6-10H,1-5H2,(H,16,17,18);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15)/q;;;11*+1;;;;;;;;/p-5.
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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) has a molecular weight of 7305.73 g/mol, XLogP of 93.57, 82 rotatable bonds, 8 hydrogen bond donors, and 52 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-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid);2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonic acid;3-(4-cyclohexylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonic acid;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[3-(hydroxymethyl)phenyl]-bis(3-methoxyphenyl)sulfanium;bis(5-phenyldibenzothiophen-5-ium);10-phenylphenoxathiin-10-ium;bis(2,4,6-tricyclohexylbenzenesulfonate);heptakis(triphenylsulfanium) is sourced from PubChem (CID 159439880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).