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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate

C171H162F12O34S12 — CID 159435569

IUPAC2-[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;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(OC(=O)c1ccc2cc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)ccc2c1)C(F)(F)S(=O)(=O)[O-].CC1CC(c2ccc([S+](c3ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C4CC(C)CC(C)(C)C4)cc3)cc2)CC(C)(C)C1
InChIInChI=1S/C39H50F2O4S2.C32H24F2O6S2.C28H22F2O6S2.C25H24F2O6S2.C24H22F2O6S2.C23H20F2O6S2/c1-26-20-31(24-37(4,5)22-26)29-8-14-34(15-9-29)46(35-16-10-30(11-17-35)32-21-27(2)23-38(6,7)25-32)36-18-12-33(13-19-36)45-28(3)39(40,41)47(42,43)44;1-22(32(33,34)42(36,37)38)39-31(35)25-13-12-24-21-27(15-14-23(24)20-25)40-26-16-18-30(19-17-26)41(28-8-4-2-5-9-28)29-10-6-3-7-11-29;1-20(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;1-19(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/h8-19,26-28,31-32H,20-25H2,1-7H3;2-22H,1H3;2-20H,1H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;2-15,18H,16-17H2,1H3;2-15,17H,16H2,1H3
InChIKeyLRNOIKDVNXBYIB-UHFFFAOYSA-N
MW3373.92 g/mol
LogP38.08
Rot. Bonds57

About 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-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;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate (PubChem CID 159435569) has the molecular formula C171H162F12O34S12 and a molecular weight of 3373.92 g/mol. Its IUPAC name is 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate.

Molecular Properties

Compound Name2-[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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate
PubChem CID159435569
Molecular FormulaC171H162F12O34S12
Molecular Weight3373.92 g/mol
Exact Mass3370.74
IUPAC Name2-[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;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(OC(=O)c1ccc2cc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)ccc2c1)C(F)(F)S(=O)(=O)[O-].CC1CC(c2ccc([S+](c3ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C4CC(C)CC(C)(C)C4)cc3)cc2)CC(C)(C)C1
InChIInChI=1S/C39H50F2O4S2.C32H24F2O6S2.C28H22F2O6S2.C25H24F2O6S2.C24H22F2O6S2.C23H20F2O6S2/c1-26-20-31(24-37(4,5)22-26)29-8-14-34(15-9-29)46(35-16-10-30(11-17-35)32-21-27(2)23-38(6,7)25-32)36-18-12-33(13-19-36)45-28(3)39(40,41)47(42,43)44;1-22(32(33,34)42(36,37)38)39-31(35)25-13-12-24-21-27(15-14-23(24)20-25)40-26-16-18-30(19-17-26)41(28-8-4-2-5-9-28)29-10-6-3-7-11-29;1-20(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;1-19(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/h8-19,26-28,31-32H,20-25H2,1-7H3;2-22H,1H3;2-20H,1H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;2-15,18H,16-17H2,1H3;2-15,17H,16H2,1H3
InChIKeyLRNOIKDVNXBYIB-UHFFFAOYSA-N
XLogP38.08
TPSA530.08 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds57
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003373.92
LogP ≤ 538.08
H-Bond Donors ≤ 50
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[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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate with MolForge

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Related Compounds

[3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl] hydrogen sulfite
CID 58795320
Triphenylsulfonium 1,1,3,3,3-pentafluoro-2-(6-methacryloyloxy-naphthalene-2-carbonyloxy)-propane-1-sulfonate
CID 86639516
[4-Bis(3,5-dimethylphenyl)sulfoniophenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniobenzoyl)oxy-1-adamantyl]methoxysulfonyl-(trifluoromethylsulfonyl)azanide;2-(4-diphenylsulfoniobenzoyl)oxyethoxysulfonyl-(trifluoromethylsulfonyl)azanide;(4-diphenylsulfonionaphthalen-1-yl)oxysulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-diphenylsulfoniophenoxy)-1-adamantyl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[1-(4-diphenylsulfoniophenoxy)-3-methylbutan-2-yl]oxysulfonyl-(trifluoromethylsulfonyl)azanide;[4-[naphthalen-2-yl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide
CID 157077339
2-[4-(4-Diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate
CID 157154254
Ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene
CID 157177279
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
[4-[4-(3,4-Dimethylbenzoyl)oxybenzoyl]phenyl] 3,4-dimethylbenzoate;2-(3,4-dimethylbenzoyl)oxyethyl 3,4-dimethylbenzoate;[4-[4-(3,4-dimethylbenzoyl)oxyphenoxy]phenyl] 3,4-dimethylbenzoate;[4-(3,4-dimethylbenzoyl)oxyphenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl] 3,4-dimethylbenzoate;[4-[2-[4-(3,4-dimethylbenzoyl)oxyphenyl]propan-2-yl]phenyl] 3,4-dimethylbenzoate;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene
CID 157304472
[4-(2-Bicyclo[2.2.1]heptanyloxy)phenyl]-diphenylsulfanium;2-[4-(4-diphenylsulfoniophenoxy)adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[4-(4-diphenylsulfoniophenoxy)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[5-(4-diphenylsulfoniophenoxy)naphthalene-1-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;4-(4-diphenylsulfoniophenoxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;1,1,2,2-tetrafluoropropane-1-sulfonate
CID 157383521
4-[2-(4-Ethenyl-2-methoxycarbonylphenoxy)ethoxy]benzenesulfonate;3-(5-ethenylnaphthalen-1-yl)oxy-1,1-difluoro-3-oxopropane-1-sulfonate;4-[2-(3-ethenylphenoxy)acetyl]benzenesulfonate;4-(3-ethenylphenoxy)benzenesulfonate;4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate
CID 157383611
CID 157447152
CID 157447152
1,1-Difluoro-2-[2-(2-methylbenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-methylbenzoate;1,1-difluoro-2-[2-(2,3,5-trimethylbenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[3-(2,3,5-trimethylbenzoyl)oxyadamantane-1-carbonyl]oxyethanesulfonate;2-[3-(3-methylbenzoyl)oxypropanoyloxy]ethanesulfonate;2-[4-(2,3,5-trimethylbenzoyl)oxybenzoyl]oxyethanesulfonate;2-[5-(2,3,5-trimethylbenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;2-[4-(2,3,5-trimethylbenzoyl)oxycyclohexanecarbonyl]oxyethanesulfonate;2-[4-(2,3,5-trimethylbenzoyl)oxycyclohex-2-ene-1-carbonyl]oxyethanesulfonate
CID 157530989

Frequently Asked Questions

What is the IUPAC name of 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate?
The IUPAC name of 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate (CID 159435569) is 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate.
What is the SMILES notation for 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate?
The canonical SMILES for 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;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(OC(=O)c1ccc2cc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)ccc2c1)C(F)(F)S(=O)(=O)[O-].CC1CC(c2ccc([S+](c3ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C4CC(C)CC(C)(C)C4)cc3)cc2)CC(C)(C)C1.
What is the InChIKey of 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate?
The InChIKey is LRNOIKDVNXBYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50F2O4S2.C32H24F2O6S2.C28H22F2O6S2.C25H24F2O6S2.C24H22F2O6S2.C23H20F2O6S2/c1-26-20-31(24-37(4,5)22-26)29-8-14-34(15-9-29)46(35-16-10-30(11-17-35)32-21-27(2)23-38(6,7)25-32)36-18-12-33(13-19-36)45-28(3)39(40,41)47(42,43)44;1-22(32(33,34)42(36,37)38)39-31(35)25-13-12-24-21-27(15-14-23(24)20-25)40-26-16-18-30(19-17-26)41(28-8-4-2-5-9-28)29-10-6-3-7-11-29;1-20(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;1-19(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/h8-19,26-28,31-32H,20-25H2,1-7H3;2-22H,1H3;2-20H,1H3;2-7,9-12,14-17,19H,8,13,18H2,1H3;2-15,18H,16-17H2,1H3;2-15,17H,16H2,1H3.
What are the key properties of 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-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;2-[6-(4-diphenylsulfoniophenoxy)naphthalene-2-carbonyl]oxy-1,1-difluoropropane-1-sulfonate;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate has a molecular weight of 3373.92 g/mol, XLogP of 38.08, 57 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 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;2-[3-(4-diphenylsulfoniophenoxy)propanoyloxy]-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 159435569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).