2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium

C394H434F41IN5O51S26- — CID 161420075

IUPAC2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCCC(C)(C)c1ccc([I-]c2ccc(C(C)(C)CC)cc2)cc1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(F)c(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.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-])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)C1CC2CCC1C2.O=S(=O)([O-])Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[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.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C30H36F4O4S.C28H35F9NO7S3.C27H36F6O6S2.C26H38F2NO7S3.C24H36O4S.C24H36O3S.C22H30I.C21H21O3S.C21H27OS.C18H12F3S.6C18H15S.C13H18F2O5S.C13H10N2O4S2.C9H12F4O3S.C7H3F5.C3F6NO4S2/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;29-25(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;1-37(30,31)29-38(32,33)26(27,28)39(34,35)36-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;25-29(26,27)28-24-22(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;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;1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-2-3(8)5(10)7(12)6(11)4(2)9;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2,(H,35,36,37);16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);17-21H,2-16H2,1H3;16-20H,1-15H2,(H,25,26,27);16-20H,1-15H2,(H,25,26,27);9-16H,7-8H2,1-6H3;4-15H,1-3H3;4-5,10-13,17H,1-3,6-9,14-16H2;1-12H;6*1-15H;8-10H,1-7H2,(H,17,18,19);1-10H;5-7H,1-4H2,(H,14,15,16);1H3;/q;-1;;-1;;;-1;9*+1;;;;;-1/p-6
InChIKeyHJRGKKNKRKLAIN-UHFFFAOYSA-H
MW7795.35 g/mol
LogP102.66
Rot. Bonds90

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium (PubChem CID 161420075) has the molecular formula C394H434F41IN5O51S26- and a molecular weight of 7795.35 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium.

Molecular Properties

Compound Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium
PubChem CID161420075
Molecular FormulaC394H434F41IN5O51S26-
Molecular Weight7795.35 g/mol
Exact Mass7788.27
IUPAC Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium
SMILESCCC(C)(C)c1ccc([I-]c2ccc(C(C)(C)CC)cc2)cc1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(F)c(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.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-])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)C1CC2CCC1C2.O=S(=O)([O-])Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[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.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C30H36F4O4S.C28H35F9NO7S3.C27H36F6O6S2.C26H38F2NO7S3.C24H36O4S.C24H36O3S.C22H30I.C21H21O3S.C21H27OS.C18H12F3S.6C18H15S.C13H18F2O5S.C13H10N2O4S2.C9H12F4O3S.C7H3F5.C3F6NO4S2/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;29-25(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;1-37(30,31)29-38(32,33)26(27,28)39(34,35)36-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;25-29(26,27)28-24-22(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;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;1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-2-3(8)5(10)7(12)6(11)4(2)9;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2,(H,35,36,37);16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);17-21H,2-16H2,1H3;16-20H,1-15H2,(H,25,26,27);16-20H,1-15H2,(H,25,26,27);9-16H,7-8H2,1-6H3;4-15H,1-3H3;4-5,10-13,17H,1-3,6-9,14-16H2;1-12H;6*1-15H;8-10H,1-7H2,(H,17,18,19);1-10H;5-7H,1-4H2,(H,14,15,16);1H3;/q;-1;;-1;;;-1;9*+1;;;;;-1/p-6
InChIKeyHJRGKKNKRKLAIN-UHFFFAOYSA-H
XLogP102.66
TPSA906.81 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds90
Heavy Atoms518
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5007795.35
LogP ≤ 5102.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium with MolForge

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What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium (CID 161420075) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium.
What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium is CCC(C)(C)c1ccc([I-]c2ccc(C(C)(C)CC)cc2)cc1.COc1cccc([S+](c2cccc(OC)c2)c2cccc(OC)c2)c1.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1c(F)c(F)c(F)c(F)c1F.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.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-])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)C1CC2CCC1C2.O=S(=O)([O-])Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])c1c(F)c(F)c(Oc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[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.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.
What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
The InChIKey is HJRGKKNKRKLAIN-UHFFFAOYSA-H. The full InChI is InChI=1S/C30H36F4O4S.C28H35F9NO7S3.C27H36F6O6S2.C26H38F2NO7S3.C24H36O4S.C24H36O3S.C22H30I.C21H21O3S.C21H27OS.C18H12F3S.6C18H15S.C13H18F2O5S.C13H10N2O4S2.C9H12F4O3S.C7H3F5.C3F6NO4S2/c31-24-26(33)30(39(35,36)37)27(34)25(32)29(24)38-28-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(28)20-14-8-3-9-15-20;29-25(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;1-37(30,31)29-38(32,33)26(27,28)39(34,35)36-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;25-29(26,27)28-24-22(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;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;1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-22-16-7-4-10-19(13-16)25(20-11-5-8-17(14-20)23-2)21-12-6-9-18(15-21)24-3;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;1-2-3(8)5(10)7(12)6(11)4(2)9;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2,(H,35,36,37);16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);17-21H,2-16H2,1H3;16-20H,1-15H2,(H,25,26,27);16-20H,1-15H2,(H,25,26,27);9-16H,7-8H2,1-6H3;4-15H,1-3H3;4-5,10-13,17H,1-3,6-9,14-16H2;1-12H;6*1-15H;8-10H,1-7H2,(H,17,18,19);1-10H;5-7H,1-4H2,(H,14,15,16);1H3;/q;-1;;-1;;;-1;9*+1;;;;;-1/p-6.
What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium?
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium has a molecular weight of 7795.35 g/mol, XLogP of 102.66, 90 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[benzenesulfonyl(diazo)methyl]sulfonylbenzene;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-methylsulfonylazanide;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-(2-methylbutan-2-yl)-4-[4-(2-methylbutan-2-yl)phenyl]iodanuidylbenzene;1,2,3,4,5-pentafluoro-6-methylbenzene;2,3,5,6-tetrafluoro-4-(2,4,6-tricyclohexylphenoxy)benzenesulfonate;2,4,6-tricyclohexylbenzenesulfonate;(2,4,6-tricyclohexylphenyl) sulfate;hexakis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium;tris(3-methoxyphenyl)sulfanium is sourced from PubChem (CID 161420075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).