3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate

C106H95F27O32S14 — CID 157435628

IUPAC3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate
SMILESC=CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)C1Cc2ccccc2C1=O.CCCC[S+](c1cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c1)C(C)(C)C(=O)c1ccc(C2CCCCC2)cc1.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2cccc3ccccc23)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+]2CCCC2)c1
InChIInChI=1S/C29H34F6O7S3.C25H16F6O6S3.C21H17F5O5S2.C18H16F4O8S3.C13H12F6O6S3/c1-4-5-18-43(26(2,3)25(36)22-16-14-21(15-17-22)20-10-7-6-8-11-20)24-13-9-12-23(19-24)42-45(40,41)29(34,35)27(30,31)28(32,33)44(37,38)39;26-23(27,24(28,29)39(32,33)34)25(30,31)40(35,36)37-18-10-7-13-20(16-18)38(19-11-2-1-3-12-19)22-15-6-9-17-8-4-5-14-21(17)22;1-2-10-32(17-11-13-6-3-4-9-16(13)18(17)27)15-8-5-7-14(12-15)31-19(20(22,23)24)21(25,26)33(28,29)30;1-12(16(23)29-2)31(14-6-4-3-5-7-14)15-10-8-13(9-11-15)30-33(27,28)18(21,22)17(19,20)32(24,25)26;14-11(15,12(16,17)27(20,21)22)13(18,19)28(23,24)25-9-4-3-5-10(8-9)26-6-1-2-7-26/h9,12-17,19-20H,4-8,10-11,18H2,1-3H3;1-16H;2-9,12,17,19H,1,10-11H2;3-12H,1-2H3;3-5,8H,1-2,6-7H2
InChIKeyBRBGGBKTHRTJRM-UHFFFAOYSA-N
MW2842.78 g/mol
LogP22.62
Rot. Bonds47

About 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate

3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate (PubChem CID 157435628) has the molecular formula C106H95F27O32S14 and a molecular weight of 2842.78 g/mol. Its IUPAC name is 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate.

Molecular Properties

Compound Name3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate
PubChem CID157435628
Molecular FormulaC106H95F27O32S14
Molecular Weight2842.78 g/mol
Exact Mass2840.15
IUPAC Name3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate
SMILESC=CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)C1Cc2ccccc2C1=O.CCCC[S+](c1cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c1)C(C)(C)C(=O)c1ccc(C2CCCCC2)cc1.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2cccc3ccccc23)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+]2CCCC2)c1
InChIInChI=1S/C29H34F6O7S3.C25H16F6O6S3.C21H17F5O5S2.C18H16F4O8S3.C13H12F6O6S3/c1-4-5-18-43(26(2,3)25(36)22-16-14-21(15-17-22)20-10-7-6-8-11-20)24-13-9-12-23(19-24)42-45(40,41)29(34,35)27(30,31)28(32,33)44(37,38)39;26-23(27,24(28,29)39(32,33)34)25(30,31)40(35,36)37-18-10-7-13-20(16-18)38(19-11-2-1-3-12-19)22-15-6-9-17-8-4-5-14-21(17)22;1-2-10-32(17-11-13-6-3-4-9-16(13)18(17)27)15-8-5-7-14(12-15)31-19(20(22,23)24)21(25,26)33(28,29)30;1-12(16(23)29-2)31(14-6-4-3-5-7-14)15-10-8-13(9-11-15)30-33(27,28)18(21,22)17(19,20)32(24,25)26;14-11(15,12(16,17)27(20,21)22)13(18,19)28(23,24)25-9-4-3-5-10(8-9)26-6-1-2-7-26/h9,12-17,19-20H,4-8,10-11,18H2,1-3H3;1-16H;2-9,12,17,19H,1,10-11H2;3-12H,1-2H3;3-5,8H,1-2,6-7H2
InChIKeyBRBGGBKTHRTJRM-UHFFFAOYSA-N
XLogP22.62
TPSA529.15 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds47
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002842.78
LogP ≤ 522.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate with MolForge

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Related Compounds

1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;bis(1-(3,4-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone);hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(thiolan-1-ium-1-yl)ethanone;2-(thiolan-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 159278620
tetrakis(2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate);(4-cyclohexylphenyl)-diphenylsulfanium;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;1-naphthalen-1-ylthiolan-1-ium;1-(4-phenoxyphenyl)thiolan-1-ium
CID 159989039
2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate
CID 162060191
bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;bis([1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide);1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-[2,4,6-tri(propan-2-yl)phenoxy]sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;tetrakis(triphenylsulfanium)
CID 162072939
1-(6-butoxynaphthalen-2-yl)thiolan-1-ium;9H-fluorene;trifluoromethanesulfonate
CID 172742975
1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol
CID 159243273
1-adamantylmethyl 2,2-difluoropropanoate;2-(1-adamantyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;(4-cyclohexylphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,4,4-trifluoropentyl adamantane-1-carboxylate;tris(triphenylsulfanium)
CID 162048473
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(difluoro)methanesulfonate;3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(4-acetylthiomorpholin-1-ium-1-yl)-3,3-dimethyl-1-(4-methylnaphthalen-1-yl)butan-1-one;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1-(4-cyclohexylphenyl)-3,3-dimethyl-2-[4-(trifluoromethylsulfonyl)thiomorpholin-1-ium-1-yl]butan-1-one;1-[1-(4-cyclohexylphenyl)-1-oxopropan-2-yl]thian-1-ium-4-one;difluoro(morpholin-4-ylsulfonyl)methanesulfonate;3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;2-[4-[(5S,9R,10S,13R,14R,17S)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]butanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;4,4,5,5,6,6-hexafluoro-1,3,2-dithiazinane 1,1,3,3-tetraoxide;6-methyl-2-(1,4-oxathian-4-ium-4-yl)-3,4-dihydro-2H-naphthalen-1-one;1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;triphenylsulfanium
CID 160839190
butyl-phenacyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);phenacyl(diphenyl)sulfanium
CID 161337535
bis(4-tert-butylphenyl)iodanium;bis(2-[3-(cyclohexylmethoxy)-4-iodobenzoyl]oxy-1,1-difluoroethanesulfonate);(4-cyclooctylphenyl)-diphenylsulfanium;1,1,3,3,3-pentafluoro-2-(2,3,5-triiodobenzoyl)oxypropane-1-sulfonate;triphenylsulfanium
CID 160765815
2-[4-bis(4-butoxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclopentyloxyphenyl)-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-pentoxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[phenyl-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonio]phenoxy]propane-1-sulfonate
CID 157196720
1-O-(4-cyclohexylphenyl) 3-O-methyl 1,1,2,2,3-pentafluorobutane-1,3-disulfonate
CID 123716217

Frequently Asked Questions

What is the IUPAC name of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?
The IUPAC name of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate (CID 157435628) is 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate.
What is the SMILES notation for 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?
The canonical SMILES for 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate is C=CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)C1Cc2ccccc2C1=O.CCCC[S+](c1cccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c1)C(C)(C)C(=O)c1ccc(C2CCCCC2)cc1.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2cccc3ccccc23)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+]2CCCC2)c1.
What is the InChIKey of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?
The InChIKey is BRBGGBKTHRTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F6O7S3.C25H16F6O6S3.C21H17F5O5S2.C18H16F4O8S3.C13H12F6O6S3/c1-4-5-18-43(26(2,3)25(36)22-16-14-21(15-17-22)20-10-7-6-8-11-20)24-13-9-12-23(19-24)42-45(40,41)29(34,35)27(30,31)28(32,33)44(37,38)39;26-23(27,24(28,29)39(32,33)34)25(30,31)40(35,36)37-18-10-7-13-20(16-18)38(19-11-2-1-3-12-19)22-15-6-9-17-8-4-5-14-21(17)22;1-2-10-32(17-11-13-6-3-4-9-16(13)18(17)27)15-8-5-7-14(12-15)31-19(20(22,23)24)21(25,26)33(28,29)30;1-12(16(23)29-2)31(14-6-4-3-5-7-14)15-10-8-13(9-11-15)30-33(27,28)18(21,22)17(19,20)32(24,25)26;14-11(15,12(16,17)27(20,21)22)13(18,19)28(23,24)25-9-4-3-5-10(8-9)26-6-1-2-7-26/h9,12-17,19-20H,4-8,10-11,18H2,1-3H3;1-16H;2-9,12,17,19H,1,10-11H2;3-12H,1-2H3;3-5,8H,1-2,6-7H2.
What are the key properties of 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate?
3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate has a molecular weight of 2842.78 g/mol, XLogP of 22.62, 47 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[butyl-[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]sulfonio]phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-(thiolan-1-ium-1-yl)phenoxy]sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[3-[(3-oxo-1,2-dihydroinden-2-yl)-prop-2-enylsulfonio]phenoxy]propane-1-sulfonate;1,1,2,2-tetrafluoro-2-[4-[(1-methoxy-1-oxopropan-2-yl)-phenylsulfonio]phenoxy]sulfonylethanesulfonate is sourced from PubChem (CID 157435628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).