tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate

C206H248F41N12O53S12+7 — CID 158657240

IUPACtert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate
SMILESC#CO[n+]1cccc2ccccc21.CC(C)(C)OC(=O)O[n+]1cccc2ccccc21.CC(C)(C)c1cc(C(C)(C)C)c(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)C)c1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CCCOC(=O)C(F)(F)S(=O)(=O)O.Cc1cc(C)[n+](OC(=O)OC(C)(C)C)c(C)c1.Cc1cccc[n+]1OC1CCCCC1.O=C(O[n+]1ccc(F)cc1)c1ccccc1.O=C(O[n+]1cccc2ccccc21)N1CCOCC1.O=C1C2CC3CC1CC(COC(=O)C(F)(F)S(=O)(=O)O)(C3)C2.O=S(=O)(N=C([O-])C1CCCCC1)C(F)(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.c1cc[n+](OC2CCCCC2)cc1.c1ccc2c(c1)ccc[n+]2OC1CCCCC1
InChIInChI=1S/C27H36F6O5S2.C21H30F6O5S2.C15H19F6NO5S2.C15H18NO.C14H15N2O3.C14H16NO3.C13H16F2O6S.C13H20NO3.C12H9FNO2.C12H18NO.C11H7F6NO5S2.C11H16NO.C11H8NO.C8H12F3NO3S.C5H8F2O5S.C4HF9O4S/c28-25(29,27(32,33)40(36,37)38)26(30,31)39(34,35)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;1-16(2,3)12-10-13(17(4,5)6)15(14(11-12)18(7,8)9)33(28,29)20(24,25)19(22,23)21(26,27)34(30,31)32;1-8(2)10-6-5-7-11(9(3)4)12(10)22-28(23,24)14(18,19)13(16,17)15(20,21)29(25,26)27;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;17-14(15-8-10-18-11-9-15)19-16-7-3-5-12-4-1-2-6-13(12)16;1-14(2,3)17-13(16)18-15-10-6-8-11-7-4-5-9-12(11)15;14-13(15,22(18,19)20)11(17)21-6-12-3-7-1-8(4-12)10(16)9(2-7)5-12;1-9-7-10(2)14(11(3)8-9)17-12(15)16-13(4,5)6;13-11-6-8-14(9-7-11)16-12(15)10-4-2-1-3-5-10;1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-13-12-9-5-7-10-6-3-4-8-11(10)12;9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6;1-2-3-12-4(8)5(6,7)13(9,10)11;5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h16-20H,1-15H2,(H,36,37,38);10-11H,1-9H3,(H,30,31,32);5-9,22H,1-4H3,(H,25,26,27);4-8,11-12,14H,1-3,9-10H2;1-7H,8-11H2;4-10H,1-3H3;7-9H,1-6H2,(H,18,19,20);7-8H,1-6H3;1-9H;5-7,10,12H,2-4,8-9H2,1H3;1-6H,(H,21,22,23);2,5-6,9-11H,1,3-4,7-8H2;1,3-9H;6H,1-5H2,(H,12,13);2-3H2,1H3,(H,9,10,11);(H,14,15,16)/q;;;3*+1;;3*+1;;2*+1;;;/p-1
InChIKeyICHIJBVUSKGHRI-UHFFFAOYSA-M
MW4904.00 g/mol
LogP41.48
Rot. Bonds52

About tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate

tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate (PubChem CID 158657240) has the molecular formula C206H248F41N12O53S12+7 and a molecular weight of 4904.00 g/mol. Its IUPAC name is tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate.

Molecular Properties

Compound Nametert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate
PubChem CID158657240
Molecular FormulaC206H248F41N12O53S12+7
Molecular Weight4904.00 g/mol
Exact Mass4900.30
IUPAC Nametert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate
SMILESC#CO[n+]1cccc2ccccc21.CC(C)(C)OC(=O)O[n+]1cccc2ccccc21.CC(C)(C)c1cc(C(C)(C)C)c(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)C)c1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CCCOC(=O)C(F)(F)S(=O)(=O)O.Cc1cc(C)[n+](OC(=O)OC(C)(C)C)c(C)c1.Cc1cccc[n+]1OC1CCCCC1.O=C(O[n+]1ccc(F)cc1)c1ccccc1.O=C(O[n+]1cccc2ccccc21)N1CCOCC1.O=C1C2CC3CC1CC(COC(=O)C(F)(F)S(=O)(=O)O)(C3)C2.O=S(=O)(N=C([O-])C1CCCCC1)C(F)(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.c1cc[n+](OC2CCCCC2)cc1.c1ccc2c(c1)ccc[n+]2OC1CCCCC1
InChIInChI=1S/C27H36F6O5S2.C21H30F6O5S2.C15H19F6NO5S2.C15H18NO.C14H15N2O3.C14H16NO3.C13H16F2O6S.C13H20NO3.C12H9FNO2.C12H18NO.C11H7F6NO5S2.C11H16NO.C11H8NO.C8H12F3NO3S.C5H8F2O5S.C4HF9O4S/c28-25(29,27(32,33)40(36,37)38)26(30,31)39(34,35)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;1-16(2,3)12-10-13(17(4,5)6)15(14(11-12)18(7,8)9)33(28,29)20(24,25)19(22,23)21(26,27)34(30,31)32;1-8(2)10-6-5-7-11(9(3)4)12(10)22-28(23,24)14(18,19)13(16,17)15(20,21)29(25,26)27;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;17-14(15-8-10-18-11-9-15)19-16-7-3-5-12-4-1-2-6-13(12)16;1-14(2,3)17-13(16)18-15-10-6-8-11-7-4-5-9-12(11)15;14-13(15,22(18,19)20)11(17)21-6-12-3-7-1-8(4-12)10(16)9(2-7)5-12;1-9-7-10(2)14(11(3)8-9)17-12(15)16-13(4,5)6;13-11-6-8-14(9-7-11)16-12(15)10-4-2-1-3-5-10;1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-13-12-9-5-7-10-6-3-4-8-11(10)12;9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6;1-2-3-12-4(8)5(6,7)13(9,10)11;5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h16-20H,1-15H2,(H,36,37,38);10-11H,1-9H3,(H,30,31,32);5-9,22H,1-4H3,(H,25,26,27);4-8,11-12,14H,1-3,9-10H2;1-7H,8-11H2;4-10H,1-3H3;7-9H,1-6H2,(H,18,19,20);7-8H,1-6H3;1-9H;5-7,10,12H,2-4,8-9H2,1H3;1-6H,(H,21,22,23);2,5-6,9-11H,1,3-4,7-8H2;1,3-9H;6H,1-5H2,(H,12,13);2-3H2,1H3,(H,9,10,11);(H,14,15,16)/q;;;3*+1;;3*+1;;2*+1;;;/p-1
InChIKeyICHIJBVUSKGHRI-UHFFFAOYSA-M
XLogP41.48
TPSA886.66 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds52
Heavy Atoms324
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004904.00
LogP ≤ 541.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate with MolForge

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Launch Full Analysis

Related Compounds

2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate
CID 159431872

Frequently Asked Questions

What is the IUPAC name of tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate?
The IUPAC name of tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate (CID 158657240) is tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate.
What is the SMILES notation for tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate?
The canonical SMILES for tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate is C#CO[n+]1cccc2ccccc21.CC(C)(C)OC(=O)O[n+]1cccc2ccccc21.CC(C)(C)c1cc(C(C)(C)C)c(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O)c(C(C)(C)C)c1.CC(C)c1cccc(C(C)C)c1NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CCCOC(=O)C(F)(F)S(=O)(=O)O.Cc1cc(C)[n+](OC(=O)OC(C)(C)C)c(C)c1.Cc1cccc[n+]1OC1CCCCC1.O=C(O[n+]1ccc(F)cc1)c1ccccc1.O=C(O[n+]1cccc2ccccc21)N1CCOCC1.O=C1C2CC3CC1CC(COC(=O)C(F)(F)S(=O)(=O)O)(C3)C2.O=S(=O)(N=C([O-])C1CCCCC1)C(F)(F)F.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.c1cc[n+](OC2CCCCC2)cc1.c1ccc2c(c1)ccc[n+]2OC1CCCCC1.
What is the InChIKey of tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate?
The InChIKey is ICHIJBVUSKGHRI-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H36F6O5S2.C21H30F6O5S2.C15H19F6NO5S2.C15H18NO.C14H15N2O3.C14H16NO3.C13H16F2O6S.C13H20NO3.C12H9FNO2.C12H18NO.C11H7F6NO5S2.C11H16NO.C11H8NO.C8H12F3NO3S.C5H8F2O5S.C4HF9O4S/c28-25(29,27(32,33)40(36,37)38)26(30,31)39(34,35)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;1-16(2,3)12-10-13(17(4,5)6)15(14(11-12)18(7,8)9)33(28,29)20(24,25)19(22,23)21(26,27)34(30,31)32;1-8(2)10-6-5-7-11(9(3)4)12(10)22-28(23,24)14(18,19)13(16,17)15(20,21)29(25,26)27;1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16;17-14(15-8-10-18-11-9-15)19-16-7-3-5-12-4-1-2-6-13(12)16;1-14(2,3)17-13(16)18-15-10-6-8-11-7-4-5-9-12(11)15;14-13(15,22(18,19)20)11(17)21-6-12-3-7-1-8(4-12)10(16)9(2-7)5-12;1-9-7-10(2)14(11(3)8-9)17-12(15)16-13(4,5)6;13-11-6-8-14(9-7-11)16-12(15)10-4-2-1-3-5-10;1-11-7-5-6-10-13(11)14-12-8-3-2-4-9-12;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-13-12-9-5-7-10-6-3-4-8-11(10)12;9-8(10,11)16(14,15)12-7(13)6-4-2-1-3-5-6;1-2-3-12-4(8)5(6,7)13(9,10)11;5-1(6,7)2(8,9)17-3(10,11)4(12,13)18(14,15)16/h16-20H,1-15H2,(H,36,37,38);10-11H,1-9H3,(H,30,31,32);5-9,22H,1-4H3,(H,25,26,27);4-8,11-12,14H,1-3,9-10H2;1-7H,8-11H2;4-10H,1-3H3;7-9H,1-6H2,(H,18,19,20);7-8H,1-6H3;1-9H;5-7,10,12H,2-4,8-9H2,1H3;1-6H,(H,21,22,23);2,5-6,9-11H,1,3-4,7-8H2;1,3-9H;6H,1-5H2,(H,12,13);2-3H2,1H3,(H,9,10,11);(H,14,15,16)/q;;;3*+1;;3*+1;;2*+1;;;/p-1.
What are the key properties of tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate?
tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate has a molecular weight of 4904.00 g/mol, XLogP of 41.48, 52 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl quinolin-1-ium-1-yl carbonate;tert-butyl (2,4,6-trimethylpyridin-1-ium-1-yl) carbonate;1-cyclohexyloxy-2-methylpyridin-1-ium;1-cyclohexyloxypyridin-1-ium;1-cyclohexyloxyquinolin-1-ium;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)methoxy]ethanesulfonic acid;1,1-difluoro-2-oxo-2-propoxyethanesulfonic acid;3-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethynoxyquinolin-1-ium;(4-fluoropyridin-1-ium-1-yl) benzoate;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tritert-butylphenyl)sulfonylpropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;quinolin-1-ium-1-yl morpholine-4-carboxylate;1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid;N-(trifluoromethylsulfonyl)cyclohexanecarboximidate is sourced from PubChem (CID 158657240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).