2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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

C150H109F37N2O39S18 — CID 160685555

IUPAC2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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.CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)c1cn(C)c2ccccc12.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.Cn1cc([S+](c2ccccc2)c2ccccc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c2ccccc21.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)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(Oc1cccc(-[s+]2c3ccccc3c3ccccc32)c1)C(F)(F)F
InChIInChI=1S/C25H16F6O6S3.C24H17F6NO6S3.C21H12F6O6S3.C21H17F5O5S2.C21H13F5O4S2.C20H18F5NO4S2.C18H16F4O8S3/c26-23(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;1-31-15-21(17-11-5-6-12-18(17)31)38(16-9-3-2-4-10-16)20-14-8-7-13-19(20)37-40(35,36)24(29,30)22(25,26)23(27,28)39(32,33)34;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-13-9-11-14(12-10-13)34-17-7-3-1-5-15(17)16-6-2-4-8-18(16)34;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;22-20(23,24)19(21(25,26)32(27,28)29)30-13-6-5-7-14(12-13)31-17-10-3-1-8-15(17)16-9-2-4-11-18(16)31;1-3-31(17-12-26(2)16-10-5-4-9-15(16)17)14-8-6-7-13(11-14)30-18(19(21,22)23)20(24,25)32(27,28)29;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/h1-16H;2-15H,1H3;1-12H;2-9,12,17,19H,1,10-11H2;1-12,19H;4-12,18H,3H2,1-2H3;3-12H,1-2H3
InChIKeyROSGEAVYYSORAO-UHFFFAOYSA-N
MW3843.63 g/mol
LogP34.85
Rot. Bonds54

About 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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

2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 160685555) has the molecular formula C150H109F37N2O39S18 and a molecular weight of 3843.63 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 Name2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 CID160685555
Molecular FormulaC150H109F37N2O39S18
Molecular Weight3843.63 g/mol
Exact Mass3840.10
IUPAC Name2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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.CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)c1cn(C)c2ccccc12.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.Cn1cc([S+](c2ccccc2)c2ccccc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c2ccccc21.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)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(Oc1cccc(-[s+]2c3ccccc3c3ccccc32)c1)C(F)(F)F
InChIInChI=1S/C25H16F6O6S3.C24H17F6NO6S3.C21H12F6O6S3.C21H17F5O5S2.C21H13F5O4S2.C20H18F5NO4S2.C18H16F4O8S3/c26-23(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;1-31-15-21(17-11-5-6-12-18(17)31)38(16-9-3-2-4-10-16)20-14-8-7-13-19(20)37-40(35,36)24(29,30)22(25,26)23(27,28)39(32,33)34;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-13-9-11-14(12-10-13)34-17-7-3-1-5-15(17)16-6-2-4-8-18(16)34;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;22-20(23,24)19(21(25,26)32(27,28)29)30-13-6-5-7-14(12-13)31-17-10-3-1-8-15(17)16-9-2-4-11-18(16)31;1-3-31(17-12-26(2)16-10-5-4-9-15(16)17)14-8-6-7-13(11-14)30-18(19(21,22)23)20(24,25)32(27,28)29;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/h1-16H;2-15H,1H3;1-12H;2-9,12,17,19H,1,10-11H2;1-12,19H;4-12,18H,3H2,1-2H3;3-12H,1-2H3
InChIKeyROSGEAVYYSORAO-UHFFFAOYSA-N
XLogP34.85
TPSA654.80 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds54
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003843.63
LogP ≤ 534.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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

2-(3-Dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-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-thianthren-5-ium-5-ylphenoxy)sulfonylpropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(3-phenoxathiin-10-ium-10-ylphenoxy)propane-1-sulfonate
CID 159891498
Pentakis(2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate);pentakis(2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;1-(4-tert-butylphenyl)thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;3,3-dimethyl-1-phenyl-2-(thiolan-1-ium-1-yl)butan-1-one;9-ethyl-3-(thiolan-1-ium-1-yl)carbazole;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-1-benzothiophen-1-ium;5-phenyldibenzothiophen-5-ium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 161770116
CID 161890283
CID 161890283
CID 162146654
CID 162146654
1-[4-(Cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;2-methyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-methyl-3-(thiolan-1-ium-1-yl)indole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 159101613

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 160685555) is 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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.CC[S+](c1cccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1)c1cn(C)c2ccccc12.COC(=O)C(C)[S+](c1ccccc1)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.Cn1cc([S+](c2ccccc2)c2ccccc2OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])c2ccccc21.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc(-[s+]2c3ccccc3c3ccccc32)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(Oc1cccc(-[s+]2c3ccccc3c3ccccc32)c1)C(F)(F)F.
What is the InChIKey of 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 ROSGEAVYYSORAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F6O6S3.C24H17F6NO6S3.C21H12F6O6S3.C21H17F5O5S2.C21H13F5O4S2.C20H18F5NO4S2.C18H16F4O8S3/c26-23(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;1-31-15-21(17-11-5-6-12-18(17)31)38(16-9-3-2-4-10-16)20-14-8-7-13-19(20)37-40(35,36)24(29,30)22(25,26)23(27,28)39(32,33)34;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-13-9-11-14(12-10-13)34-17-7-3-1-5-15(17)16-6-2-4-8-18(16)34;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;22-20(23,24)19(21(25,26)32(27,28)29)30-13-6-5-7-14(12-13)31-17-10-3-1-8-15(17)16-9-2-4-11-18(16)31;1-3-31(17-12-26(2)16-10-5-4-9-15(16)17)14-8-6-7-13(11-14)30-18(19(21,22)23)20(24,25)32(27,28)29;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/h1-16H;2-15H,1H3;1-12H;2-9,12,17,19H,1,10-11H2;1-12,19H;4-12,18H,3H2,1-2H3;3-12H,1-2H3.
What are the key properties of 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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?
2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 3843.63 g/mol, XLogP of 34.85, 54 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-5-ium-5-ylphenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;3-(4-dibenzothiophen-5-ium-5-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-[ethyl-(1-methylindol-3-yl)sulfonio]phenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[2-[(1-methylindol-3-yl)-phenylsulfonio]phenoxy]sulfonylpropane-1-sulfonate;1,1,2,2,3,3-hexafluoro-3-[3-[naphthalen-1-yl(phenyl)sulfonio]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 160685555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).