(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium

C172H159F14I11O36S10 — CID 158190448

IUPAC(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1cc(OC(=O)CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)ccc1I.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)Oc1ccc(I)c(O)c1.O=C(CCC(=O)Oc1c(I)cc(I)cc1I)OCCS(=O)(=O)[O-].O=C(Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].O=C(Oc1c(I)cc(I)cc1I)C1CCCCC1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H39S.C22H23S.C19H17S.C18H15F6I3O7S.C18H14OS.C18H15S.C14H14F3IO8S.C13H12F3IO8S.C12H11I3O7S.C8H3F2I3O5S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-17(20,21)16(18(22,23)24,7-35(30,31)32)34-15(29)10-4-2-1-3-9(10)14(28)33-13-11(26)5-8(25)6-12(13)27;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-24-10-6-8(2-3-9(10)18)25-12(19)4-5-13(20)26-11(14(15,16)17)7-27(21,22)23;14-13(15,16)10(6-26(21,22)23)25-12(20)4-3-11(19)24-7-1-2-8(17)9(18)5-7;13-7-5-8(14)12(9(15)6-7)22-11(17)2-1-10(16)21-3-4-23(18,19)20;9-8(10,19(15,16)17)7(14)18-6-4(12)1-3(11)2-5(6)13/h10-21H,1-9H3;4-17H,1-3H3;2-15H,1H3;5-6,9-10H,1-4,7H2,(H,30,31,32);1-14H;1-15H;2-3,6,11H,4-5,7H2,1H3,(H,21,22,23);1-2,5,10,18H,3-4,6H2,(H,21,22,23);5-6H,1-4H2,(H,18,19,20);1-2H,(H,15,16,17)/q3*+1;;;+1;;;;/p-4
InChIKeyFZRNIJRCHMRHDZ-UHFFFAOYSA-J
MW4784.71 g/mol
LogP42.80
Rot. Bonds46

About (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium

(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium (PubChem CID 158190448) has the molecular formula C172H159F14I11O36S10 and a molecular weight of 4784.71 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium.

Molecular Properties

Compound Name(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
PubChem CID158190448
Molecular FormulaC172H159F14I11O36S10
Molecular Weight4784.71 g/mol
Exact Mass4781.71
IUPAC Name(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
SMILESCC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1cc(OC(=O)CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)ccc1I.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)Oc1ccc(I)c(O)c1.O=C(CCC(=O)Oc1c(I)cc(I)cc1I)OCCS(=O)(=O)[O-].O=C(Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].O=C(Oc1c(I)cc(I)cc1I)C1CCCCC1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H39S.C22H23S.C19H17S.C18H15F6I3O7S.C18H14OS.C18H15S.C14H14F3IO8S.C13H12F3IO8S.C12H11I3O7S.C8H3F2I3O5S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-17(20,21)16(18(22,23)24,7-35(30,31)32)34-15(29)10-4-2-1-3-9(10)14(28)33-13-11(26)5-8(25)6-12(13)27;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-24-10-6-8(2-3-9(10)18)25-12(19)4-5-13(20)26-11(14(15,16)17)7-27(21,22)23;14-13(15,16)10(6-26(21,22)23)25-12(20)4-3-11(19)24-7-1-2-8(17)9(18)5-7;13-7-5-8(14)12(9(15)6-7)22-11(17)2-1-10(16)21-3-4-23(18,19)20;9-8(10,19(15,16)17)7(14)18-6-4(12)1-3(11)2-5(6)13/h10-21H,1-9H3;4-17H,1-3H3;2-15H,1H3;5-6,9-10H,1-4,7H2,(H,30,31,32);1-14H;1-15H;2-3,6,11H,4-5,7H2,1H3,(H,21,22,23);1-2,5,10,18H,3-4,6H2,(H,21,22,23);5-6H,1-4H2,(H,18,19,20);1-2H,(H,15,16,17)/q3*+1;;;+1;;;;/p-4
InChIKeyFZRNIJRCHMRHDZ-UHFFFAOYSA-J
XLogP42.80
TPSA572.39 Ų
H-Bond Donors2
H-Bond Acceptors36
Rotatable Bonds46
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004784.71
LogP ≤ 542.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium with MolForge

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Related Compounds

2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis([4-[4-[(3-hydroxy-1-adamantyl)oxycarbonyl]-2,2,4-trimethylhexanoyl]oxyphenyl]-(4-methylphenyl)-phenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 158408313
3-(Adamantane-1-carbonyloxy)-2,2-difluoro-4-methylpentanoate;2-(adamantane-1-carbonyloxy)ethanesulfonate;bis(diphenyl-[4-(2,3,6-triiodobenzoyl)oxyphenyl]sulfanium);diphenyl-[4-[2-(2,3,6-triiodobenzoyl)oxypropan-2-yl]phenyl]sulfanium;2-hydroxy-2-methylpropanoate
CID 158490093
(4-Tert-butylphenyl)-diphenylsulfanium;tetrakis(2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium
CID 158551901
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(triphenylsulfanium)
CID 158767859
Bis(4-tert-butylphenyl)iodanium;2-decoxy-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-octoxy-2-oxoethanesulfonate;1,1-difluoro-2-oxodecane-1-sulfonate;1,1-difluoro-2-oxo-2-tetradecoxyethanesulfonate;1,1-difluoro-2-oxo-2-tridecoxyethanesulfonate;(4-ethoxyphenyl)-diphenylsulfanium;2-[(3-ethyl-1-adamantyl)methoxy]-1,1-difluoro-2-oxoethanesulfonate;(4-methylphenyl)-diphenylsulfanium;tris(triphenylsulfanium)
CID 159158559
2-(4-Fluoro-2,3,5,6-tetraiodophenoxy)ethanesulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;3,3,3-trifluoro-2-(2,3,4,5,6-pentaiodophenoxy)propane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate;2-(2,4,5-triiodophenoxy)ethanesulfonate
CID 159535809
4-[4-[[4-[3,5-Bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]oxyphenyl]-phenylsulfonio]phenoxy]-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-tert-butylphenyl)-[4-[3-(2,2-difluoropropanoyloxy)adamantane-1-carbonyl]oxyphenyl]-[4-[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propoxy]phenyl]sulfanium;1,1,2-trifluoro-4-[4-[phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)oxyphenyl]sulfonio]phenoxy]butane-1-sulfonate
CID 161617482
(4-Tert-butylphenyl)-diphenylsulfanium;tetrakis(2-(2-carboxycyclohexanecarbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-methylphenyl)sulfanium
CID 162259612
4-[4-[[4-[3,5-Bis(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]oxyphenyl]-phenylsulfonio]phenoxy]-1,1,2,2-tetrafluorobutane-1-sulfonate;(4-tert-butylphenyl)-[4-[3-(2,2-difluoropropanoyloxy)adamantane-1-carbonyl]oxyphenyl]-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;1,1,2-trifluoro-4-[4-[phenyl-[4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)oxyphenyl]sulfonio]phenoxy]butane-1-sulfonate
CID 163930262
3-(2,2-Difluoropropanoyloxy)adamantane-1-carboxylic acid;4-(2,2-difluoropropanoyloxy)adamantane-1-carboxylic acid;bis([4-(4-iodophenoxy)phenyl]-diphenylsulfanium);bis((4-iodophenyl)-bis[4-(trifluoromethyl)phenyl]sulfanium);1,1,1,3,3-pentafluorobutan-2-yl 3-hydroxyadamantane-1-carboxylate;3-(1,1,1,3,3-pentafluorobutan-2-yloxycarbonyl)adamantane-1-carboxylic acid
CID 164973360
(4-Tert-butylphenyl)-diphenylsulfanium;bis(3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate);4-[3-(2,2-dimethylbutanoyloxy)propoxy]-2,3,5,6-tetrafluorobenzenesulfonate;4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium
CID 157820635
4-Butan-2-ylbenzenesulfonate;(4-tert-butylphenyl)-diphenylsulfanium;4-(2,2-dimethylbutanoyloxy)benzenesulfonate;bis(3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate);4-(2,2-dimethylbutanoyloxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;methane;(4-methylphenyl)-diphenylsulfanium;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium
CID 158457843

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
The IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium (CID 158190448) is (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium.
What is the SMILES notation for (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
The canonical SMILES for (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium is CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1cc(OC(=O)CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)ccc1I.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(CCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F)Oc1ccc(I)c(O)c1.O=C(CCC(=O)Oc1c(I)cc(I)cc1I)OCCS(=O)(=O)[O-].O=C(Oc1c(I)cc(I)cc1I)C(F)(F)S(=O)(=O)[O-].O=C(Oc1c(I)cc(I)cc1I)C1CCCCC1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
The InChIKey is FZRNIJRCHMRHDZ-UHFFFAOYSA-J. The full InChI is InChI=1S/C30H39S.C22H23S.C19H17S.C18H15F6I3O7S.C18H14OS.C18H15S.C14H14F3IO8S.C13H12F3IO8S.C12H11I3O7S.C8H3F2I3O5S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;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;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-17(20,21)16(18(22,23)24,7-35(30,31)32)34-15(29)10-4-2-1-3-9(10)14(28)33-13-11(26)5-8(25)6-12(13)27;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-24-10-6-8(2-3-9(10)18)25-12(19)4-5-13(20)26-11(14(15,16)17)7-27(21,22)23;14-13(15,16)10(6-26(21,22)23)25-12(20)4-3-11(19)24-7-1-2-8(17)9(18)5-7;13-7-5-8(14)12(9(15)6-7)22-11(17)2-1-10(16)21-3-4-23(18,19)20;9-8(10,19(15,16)17)7(14)18-6-4(12)1-3(11)2-5(6)13/h10-21H,1-9H3;4-17H,1-3H3;2-15H,1H3;5-6,9-10H,1-4,7H2,(H,30,31,32);1-14H;1-15H;2-3,6,11H,4-5,7H2,1H3,(H,21,22,23);1-2,5,10,18H,3-4,6H2,(H,21,22,23);5-6H,1-4H2,(H,18,19,20);1-2H,(H,15,16,17)/q3*+1;;;+1;;;;/p-4.
What are the key properties of (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium?
(4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium has a molecular weight of 4784.71 g/mol, XLogP of 42.80, 46 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-diphenylsulfanium;1,1-difluoro-2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate;(4-hydroxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;2-[4-oxo-4-(2,4,6-triiodophenoxy)butanoyl]oxyethanesulfonate;3,3,3-trifluoro-2-[4-(3-hydroxy-4-iodophenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[4-(4-iodo-3-methoxyphenoxy)-4-oxobutanoyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-(trifluoromethyl)-2-[2-(2,4,6-triiodophenoxy)carbonylcyclohexanecarbonyl]oxypropane-1-sulfonate;triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium is sourced from PubChem (CID 158190448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).