(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate

C201H175F103O42S26 — CID 159162125

IUPAC(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(CC(F)(F)F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(CC(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CCC(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/C22H23S.C19H17OS.C19H17S.4C10H14S.C8HF17O3S.C8H4F14O3S.3C6HF5O3S.6C6H6S.2C5HF11O4S.C4HF9O3S.C4H4F6O3S.C4H7F3O3S.2C3HF7O3S.C3H5F3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-10(2,3)8-4-6-9(11)7-5-8;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)26(23,24)25;3*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;6*7-6-4-2-1-3-5-6;6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19;6-1(7,2(8,9)10)3(11,12)20-4(13,14)5(15,16)21(17,18)19;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;5-3(6,7)1-2(4(8,9)10)14(11,12)13;1-3(11(8,9)10)2-4(5,6)7;2*4-1(5,2(6,7)8)3(9,10)14(11,12)13;4-3(5,6)1-2-10(7,8)9/h4-17H,1-3H3;2-15H,1H3;2-15H,1H3;4*4-7,11H,1-3H3;(H,26,27,28);1H3,(H,23,24,25);3*(H,12,13,14);6*1-5,7H;2*(H,17,18,19);(H,14,15,16);2H,1H2,(H,11,12,13);3H,2H2,1H3,(H,8,9,10);2*(H,11,12,13);1-2H2,(H,7,8,9)/q3*+1;;;;;;;;;;;;;;;;;;;;;;;/p-3
InChIKeyKKPQLAFMDMJNBO-UHFFFAOYSA-K
MW6053.11 g/mol
LogP56.45
Rot. Bonds49

About (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate

(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate (PubChem CID 159162125) has the molecular formula C201H175F103O42S26 and a molecular weight of 6053.11 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate.

Molecular Properties

Compound Name(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate
PubChem CID159162125
Molecular FormulaC201H175F103O42S26
Molecular Weight6053.11 g/mol
Exact Mass6048.27
IUPAC Name(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate
SMILESCC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(CC(F)(F)F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(CC(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CCC(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1
InChIInChI=1S/C22H23S.C19H17OS.C19H17S.4C10H14S.C8HF17O3S.C8H4F14O3S.3C6HF5O3S.6C6H6S.2C5HF11O4S.C4HF9O3S.C4H4F6O3S.C4H7F3O3S.2C3HF7O3S.C3H5F3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-10(2,3)8-4-6-9(11)7-5-8;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)26(23,24)25;3*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;6*7-6-4-2-1-3-5-6;6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19;6-1(7,2(8,9)10)3(11,12)20-4(13,14)5(15,16)21(17,18)19;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;5-3(6,7)1-2(4(8,9)10)14(11,12)13;1-3(11(8,9)10)2-4(5,6)7;2*4-1(5,2(6,7)8)3(9,10)14(11,12)13;4-3(5,6)1-2-10(7,8)9/h4-17H,1-3H3;2-15H,1H3;2-15H,1H3;4*4-7,11H,1-3H3;(H,26,27,28);1H3,(H,23,24,25);3*(H,12,13,14);6*1-5,7H;2*(H,17,18,19);(H,14,15,16);2H,1H2,(H,11,12,13);3H,2H2,1H3,(H,8,9,10);2*(H,11,12,13);1-2H2,(H,7,8,9)/q3*+1;;;;;;;;;;;;;;;;;;;;;;;/p-3
InChIKeyKKPQLAFMDMJNBO-UHFFFAOYSA-K
XLogP56.45
TPSA771.29 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms372
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006053.11
LogP ≤ 556.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?
The IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate (CID 159162125) is (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate.
What is the SMILES notation for (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?
The canonical SMILES for (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate is CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(C)(C)c1ccc([SH2+])cc1.CC(CC(F)(F)F)S(=O)(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(CC(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.O=S(=O)([O-])CCC(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.[SH2+]c1ccccc1.
What is the InChIKey of (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?
The InChIKey is KKPQLAFMDMJNBO-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H23S.C19H17OS.C19H17S.4C10H14S.C8HF17O3S.C8H4F14O3S.3C6HF5O3S.6C6H6S.2C5HF11O4S.C4HF9O3S.C4H4F6O3S.C4H7F3O3S.2C3HF7O3S.C3H5F3O3S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-10(2,3)8-4-6-9(11)7-5-8;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;1-2(9,10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)26(23,24)25;3*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;6*7-6-4-2-1-3-5-6;6-1(7,2(8,9)10)4(14,15)20-5(16,3(11,12)13)21(17,18)19;6-1(7,2(8,9)10)3(11,12)20-4(13,14)5(15,16)21(17,18)19;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;5-3(6,7)1-2(4(8,9)10)14(11,12)13;1-3(11(8,9)10)2-4(5,6)7;2*4-1(5,2(6,7)8)3(9,10)14(11,12)13;4-3(5,6)1-2-10(7,8)9/h4-17H,1-3H3;2-15H,1H3;2-15H,1H3;4*4-7,11H,1-3H3;(H,26,27,28);1H3,(H,23,24,25);3*(H,12,13,14);6*1-5,7H;2*(H,17,18,19);(H,14,15,16);2H,1H2,(H,11,12,13);3H,2H2,1H3,(H,8,9,10);2*(H,11,12,13);1-2H2,(H,7,8,9)/q3*+1;;;;;;;;;;;;;;;;;;;;;;;/p-3.
What are the key properties of (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate?
(4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate has a molecular weight of 6053.11 g/mol, XLogP of 56.45, 49 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-diphenylsulfanium;tetrakis((4-tert-butylphenyl)sulfanium);1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate);1,1,1,4,4,4-hexafluorobutane-2-sulfonate;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;tris(2,3,4,5,6-pentafluorobenzenesulfonate);phenylsulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluorooctane-1-sulfonate;1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;1,2,2,2-tetrafluoro-1-(1,1,2,2,3,3,3-heptafluoropropoxy)ethanesulfonate;4,4,4-trifluorobutane-2-sulfonate;3,3,3-trifluoropropane-1-sulfonate is sourced from PubChem (CID 159162125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).