2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate

C148H136F12O34S12 — CID 159325821

IUPAC2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate
SMILESCC(OC(=O)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1)C(F)(F)S(=O)(=O)[O-].Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2cc(C)c(OC(C)C(F)(F)S(=O)(=O)[O-])c(C)c2)c1
InChIInChI=1S/C28H22F2O6S2.C27H30F2O4S2.C25H24F2O6S2.C24H22F2O6S2.C23H20F2O6S2.C21H18F2O6S2/c1-20(28(29,30)38(32,33)34)35-27(31)21-12-14-22(15-13-21)36-23-16-18-26(19-17-23)37(24-8-4-2-5-9-24)25-10-6-3-7-11-25;1-16-8-17(2)11-23(10-16)34(24-12-18(3)9-19(4)13-24)25-14-20(5)26(21(6)15-25)33-22(7)27(28,29)35(30,31)32;1-19(25(26,27)35(29,30)31)33-24(28)13-8-18-32-20-14-16-23(17-15-20)34(21-9-4-2-5-10-21)22-11-6-3-7-12-22;1-18(24(25,26)34(28,29)30)32-23(27)16-17-31-19-12-14-22(15-13-19)33(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-17(23(24,25)33(27,28)29)31-22(26)16-30-18-12-14-21(15-13-18)32(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-14(21(22,23)31(26,27)28)29-17-6-12-20(13-7-17)30(18-8-2-15(24)3-9-18)19-10-4-16(25)5-11-19/h2-20H,1H3;8-15,22H,1-7H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;2-15,18H,16-17H2,1H3;2-15,17H,16H2,1H3;2-14H,1H3,(H2-,24,25,26,27,28)
InChIKeyLEIUIDJRJGTQMM-UHFFFAOYSA-N
MW3071.46 g/mol
LogP30.76
Rot. Bonds53

About 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate

2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate (PubChem CID 159325821) has the molecular formula C148H136F12O34S12 and a molecular weight of 3071.46 g/mol. Its IUPAC name is 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate.

Molecular Properties

Compound Name2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate
PubChem CID159325821
Molecular FormulaC148H136F12O34S12
Molecular Weight3071.46 g/mol
Exact Mass3068.54
IUPAC Name2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate
SMILESCC(OC(=O)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1)C(F)(F)S(=O)(=O)[O-].Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2cc(C)c(OC(C)C(F)(F)S(=O)(=O)[O-])c(C)c2)c1
InChIInChI=1S/C28H22F2O6S2.C27H30F2O4S2.C25H24F2O6S2.C24H22F2O6S2.C23H20F2O6S2.C21H18F2O6S2/c1-20(28(29,30)38(32,33)34)35-27(31)21-12-14-22(15-13-21)36-23-16-18-26(19-17-23)37(24-8-4-2-5-9-24)25-10-6-3-7-11-25;1-16-8-17(2)11-23(10-16)34(24-12-18(3)9-19(4)13-24)25-14-20(5)26(21(6)15-25)33-22(7)27(28,29)35(30,31)32;1-19(25(26,27)35(29,30)31)33-24(28)13-8-18-32-20-14-16-23(17-15-20)34(21-9-4-2-5-10-21)22-11-6-3-7-12-22;1-18(24(25,26)34(28,29)30)32-23(27)16-17-31-19-12-14-22(15-13-19)33(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-17(23(24,25)33(27,28)29)31-22(26)16-30-18-12-14-21(15-13-18)32(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-14(21(22,23)31(26,27)28)29-17-6-12-20(13-7-17)30(18-8-2-15(24)3-9-18)19-10-4-16(25)5-11-19/h2-20H,1H3;8-15,22H,1-7H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;2-15,18H,16-17H2,1H3;2-15,17H,16H2,1H3;2-14H,1H3,(H2-,24,25,26,27,28)
InChIKeyLEIUIDJRJGTQMM-UHFFFAOYSA-N
XLogP30.76
TPSA544.24 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds53
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003071.46
LogP ≤ 530.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate with MolForge

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Related Compounds

2-[4-Bis(4-cyclohexylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(3,3,5-trimethylcyclohexyl)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate
CID 157204554
2-[4-Bis(4-cyclohexylphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate
CID 157263787
2-[4-Bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis(2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate);2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate
CID 157382861
CID 157447152
CID 157447152
3-[4-Bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate
CID 157504412
2-[4-Bis[4-(3,3,5-trimethylcyclohexyl)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157653034
2-[4-(4-Diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate
CID 157739139
2-[4-Bis[4-(3,3,5-trimethylcyclohexyl)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157859492
2-[4-Bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoroethanesulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoroethanesulfonate;1,1,3,3,3-pentafluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate
CID 157964152
3-[4-Bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1,2-trifluoropropane-2-sulfonate;3-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1,1,2,4,4,4-heptafluorobutane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,2-trifluoro-3-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-2-sulfonate
CID 158344142
2-[4-(4-Diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(3-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-4-[3-[[3-(hydroxymethyl)phenyl]-(3-methoxyphenyl)sulfonio]phenoxy]butane-1-sulfonate
CID 158489219
CID 158623500
CID 158623500

Frequently Asked Questions

What is the IUPAC name of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate?
The IUPAC name of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate (CID 159325821) is 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate.
What is the SMILES notation for 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate?
The canonical SMILES for 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate is CC(OC(=O)CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1)C(F)(F)S(=O)(=O)[O-].Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2cc(C)c(OC(C)C(F)(F)S(=O)(=O)[O-])c(C)c2)c1.
What is the InChIKey of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate?
The InChIKey is LEIUIDJRJGTQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F2O6S2.C27H30F2O4S2.C25H24F2O6S2.C24H22F2O6S2.C23H20F2O6S2.C21H18F2O6S2/c1-20(28(29,30)38(32,33)34)35-27(31)21-12-14-22(15-13-21)36-23-16-18-26(19-17-23)37(24-8-4-2-5-9-24)25-10-6-3-7-11-25;1-16-8-17(2)11-23(10-16)34(24-12-18(3)9-19(4)13-24)25-14-20(5)26(21(6)15-25)33-22(7)27(28,29)35(30,31)32;1-19(25(26,27)35(29,30)31)33-24(28)13-8-18-32-20-14-16-23(17-15-20)34(21-9-4-2-5-10-21)22-11-6-3-7-12-22;1-18(24(25,26)34(28,29)30)32-23(27)16-17-31-19-12-14-22(15-13-19)33(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-17(23(24,25)33(27,28)29)31-22(26)16-30-18-12-14-21(15-13-18)32(19-8-4-2-5-9-19)20-10-6-3-7-11-20;1-14(21(22,23)31(26,27)28)29-17-6-12-20(13-7-17)30(18-8-2-15(24)3-9-18)19-10-4-16(25)5-11-19/h2-20H,1H3;8-15,22H,1-7H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;2-15,18H,16-17H2,1H3;2-15,17H,16H2,1H3;2-14H,1H3,(H2-,24,25,26,27,28).
What are the key properties of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate?
2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate has a molecular weight of 3071.46 g/mol, XLogP of 30.76, 53 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)benzoyl]oxy-1,1-difluoropropane-1-sulfonate;2-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 159325821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).