bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium

C247H257F35O48S18 — CID 158021919

IUPACbis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
SMILESCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)Oc1ccc([SH+]c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([SH+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H17S.C22H23S.C20H19S.C19H17S.2C18H14FS.C18H14OS.C16H18OS.2C14H17F5O5S.C12H10OS.C10H13F5O5S.2C8H11F5O5S.4C7H12F2O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-16(2,3)17-13-9-11-15(12-10-13)18-14-7-5-4-6-8-14;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;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;2*1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;4*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;3*1-14H;4-12H,1-3H3;2*7-10H,1-6H2,(H,21,22,23);1-9,13H;6,8H,1-5H2,(H,17,18,19);2*4H,1-3H3,(H,15,16,17);4*4H2,1-3H3,(H,11,12,13)/q6*+1;;;;;;;;;;;;/p-6
InChIKeyFGDUDZDULCOVQQ-UHFFFAOYSA-H
MW5235.86 g/mol
LogP57.51
Rot. Bonds56

About bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium

bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium (PubChem CID 158021919) has the molecular formula C247H257F35O48S18 and a molecular weight of 5235.86 g/mol. Its IUPAC name is bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium.

Molecular Properties

Compound Namebis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
PubChem CID158021919
Molecular FormulaC247H257F35O48S18
Molecular Weight5235.86 g/mol
Exact Mass5231.21
IUPAC Namebis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium
SMILESCC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)Oc1ccc([SH+]c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([SH+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C22H17S.C22H23S.C20H19S.C19H17S.2C18H14FS.C18H14OS.C16H18OS.2C14H17F5O5S.C12H10OS.C10H13F5O5S.2C8H11F5O5S.4C7H12F2O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-16(2,3)17-13-9-11-15(12-10-13)18-14-7-5-4-6-8-14;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;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;2*1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;4*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;3*1-14H;4-12H,1-3H3;2*7-10H,1-6H2,(H,21,22,23);1-9,13H;6,8H,1-5H2,(H,17,18,19);2*4H,1-3H3,(H,15,16,17);4*4H2,1-3H3,(H,11,12,13)/q6*+1;;;;;;;;;;;;/p-6
InChIKeyFGDUDZDULCOVQQ-UHFFFAOYSA-H
XLogP57.51
TPSA801.19 Ų
H-Bond Donors2
H-Bond Acceptors48
Rotatable Bonds56
Heavy Atoms348
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005235.86
LogP ≤ 557.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1048

Analyze bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium with MolForge

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Related Compounds

2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium
CID 87139299
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1-[4-[2-(2-methoxyethoxy)ethoxy]naphthalen-1-yl]thiolan-1-ium
CID 87139420
[1-[1-(4-Butoxynaphthalen-1-yl)thiolan-1-yl]oxysulfonyl-1,1,3,3,3-pentafluoropropan-2-yl] adamantane-1-carboxylate
CID 140227569
[1,1,1,3,3-Pentafluoro-3-[1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-yl]oxysulfonylpropan-2-yl] adamantane-1-carboxylate
CID 154615080
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;bis(2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid);benzenesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-methylbenzenesulfonate;2-methylbicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)
CID 157081285
(4-Butoxyphenyl)-diphenylsulfanium;bis((4-tert-butylphenyl)-diphenylsulfanium);2-tert-butylsulfanylethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;(3,4-dimethoxyphenyl)-diphenylsulfanium;3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propane-1-sulfonate;hydroxymethanesulfonate;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;3-hydroxypropane-1-sulfonate;2-nonanoyloxyethanesulfonate;2-oxo-2-propan-2-yloxyethanesulfonate;5-phenyldibenzothiophen-5-ium;phenylsulfanium;5-phenylthianthren-5-ium;pentakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);bis(tris(4-tert-butylphenyl)sulfanium)
CID 157114343
Tetrakis(2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate);4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;4-[4-(2-methoxyethoxy)phenyl]-1,4-oxathian-4-ium;4-(4-methoxyphenyl)-1,4-oxathian-4-ium;4-(4-methylphenyl)-1,4-oxathian-4-ium
CID 157117504
Bis(4-tert-butylphenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylbutanoyloxy)-1,1-difluoropropane-1-sulfonate);(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 157167081
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;tetrakis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis(1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium);4-(thiolan-1-ium-1-yl)naphthalen-1-ol;bis(1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium)
CID 157167834
Bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;6-butan-2-ylnaphthalen-2-ol;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2-tetrafluoroethanesulfonate;4-(4-butan-2-ylphenyl)phenol;9,10-dihydroanthracen-9-yl 2,2-dimethylbutanoate;methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;triphenylsulfanium
CID 157227225
2-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate
CID 157275743
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-[2-(adamantane-1-carbonyloxy)ethoxy]-1,1-difluoro-2-oxoethanesulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoropropane-1-sulfonate;[3,5-dimethyl-4-[2-[(2-methyl-2-adamantyl)oxy]-2-oxoethoxy]phenyl]-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;triphenylsulfanium
CID 157318279

Frequently Asked Questions

What is the IUPAC name of bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
The IUPAC name of bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium (CID 158021919) is bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium.
What is the SMILES notation for bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
The canonical SMILES for bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium is CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CC(C)(C)Oc1ccc([SH+]c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)cc([S+](c2ccccc2)c2ccccc2)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1ccc([S+](c2ccccc2)c2ccccc2)cc1.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(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Oc1ccc([SH+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2cccc3ccccc23)cc1.
What is the InChIKey of bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
The InChIKey is FGDUDZDULCOVQQ-UHFFFAOYSA-H. The full InChI is InChI=1S/C22H17S.C22H23S.C20H19S.C19H17S.2C18H14FS.C18H14OS.C16H18OS.2C14H17F5O5S.C12H10OS.C10H13F5O5S.2C8H11F5O5S.4C7H12F2O5S/c1-3-12-19(13-4-1)23(20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-13-17(2)15-20(14-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;3*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-16(2,3)17-13-9-11-15(12-10-13)18-14-7-5-4-6-8-14;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;13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11;11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;2*1-6(2,3)5(14)18-4(7(9,10)11)8(12,13)19(15,16)17;4*1-6(2,3)5(10)14-4-7(8,9)15(11,12)13/h1-17H;4-17H,1-3H3;3-15H,1-2H3;2-15H,1H3;3*1-14H;4-12H,1-3H3;2*7-10H,1-6H2,(H,21,22,23);1-9,13H;6,8H,1-5H2,(H,17,18,19);2*4H,1-3H3,(H,15,16,17);4*4H2,1-3H3,(H,11,12,13)/q6*+1;;;;;;;;;;;;/p-6.
What are the key properties of bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium?
bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium has a molecular weight of 5235.86 g/mol, XLogP of 57.51, 56 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);(4-tert-butylphenyl)-diphenylsulfanium;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(3,5-dimethylphenyl)-diphenylsulfanium;tetrakis(2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfonate);bis(2-(2,2-dimethylpropanoyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);bis((4-fluorophenyl)-diphenylsulfanium);(4-hydroxyphenyl)-diphenylsulfanium;(4-hydroxyphenyl)-phenylsulfanium;(4-methylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;naphthalen-1-yl(diphenyl)sulfanium is sourced from PubChem (CID 158021919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).