tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride

C136H132Cl2F13Na4O38S10+ — CID 159123145

IUPACtetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride
SMILESC.COC(=O)C(F)(F)SOOF.Cl.O=C(O)C(F)(F)SOO[O-].O=C1C2CC3CC1CC(O)(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.[Cl-].[Na+].[Na+].[Na+].[Na+].[OH-].c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C36H28OS2.4C12H14F2O6S.C10H14O2.C3H3F3O4S.C2H2F2O5S.CH4.2ClH.4Na.H2O/c2*1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;3*13-12(14,21-20-19-17)10(16)18-11-3-6-1-7(4-11)9(15)8(2-6)5-11;11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;1-8-2(7)3(4,5)11-10-9-6;3-2(4,1(5)6)10-9-8-7;;;;;;;;/h2*1-28H;6-8H,1-5H2,(H,17,18,19);3*6-8,17H,1-5H2;6-8,12H,1-5H2;1H3;7H,(H,5,6);1H4;2*1H;;;;;1H2/q2*+2;;;;;;;;;;;4*+1;/p-7
InChIKeyZTEWNOCLVDGHQM-UHFFFAOYSA-G
MW3105.02 g/mol
LogP11.38
Rot. Bonds42

About tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride

tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride (PubChem CID 159123145) has the molecular formula C136H132Cl2F13Na4O38S10+ and a molecular weight of 3105.02 g/mol. Its IUPAC name is tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride.

Molecular Properties

Compound Nametetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride
PubChem CID159123145
Molecular FormulaC136H132Cl2F13Na4O38S10+
Molecular Weight3105.02 g/mol
Exact Mass3101.44
IUPAC Nametetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride
SMILESC.COC(=O)C(F)(F)SOOF.Cl.O=C(O)C(F)(F)SOO[O-].O=C1C2CC3CC1CC(O)(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.[Cl-].[Na+].[Na+].[Na+].[Na+].[OH-].c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/2C36H28OS2.4C12H14F2O6S.C10H14O2.C3H3F3O4S.C2H2F2O5S.CH4.2ClH.4Na.H2O/c2*1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;3*13-12(14,21-20-19-17)10(16)18-11-3-6-1-7(4-11)9(15)8(2-6)5-11;11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;1-8-2(7)3(4,5)11-10-9-6;3-2(4,1(5)6)10-9-8-7;;;;;;;;/h2*1-28H;6-8H,1-5H2,(H,17,18,19);3*6-8,17H,1-5H2;6-8,12H,1-5H2;1H3;7H,(H,5,6);1H4;2*1H;;;;;1H2/q2*+2;;;;;;;;;;;4*+1;/p-7
InChIKeyZTEWNOCLVDGHQM-UHFFFAOYSA-G
XLogP11.38
TPSA564.58 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003105.02
LogP ≤ 511.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride with MolForge

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Related Compounds

[6-[Diphenyl-[4-(3,3,3-trifluoropropanoyloxy)phenyl]-lambda4-sulfanyl]oxysulfonyl-5,5,6,6-tetrafluorohexyl] adamantane-1-carboxylate
CID 142711954
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;[4-[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]ethoxy]phenyl]-diphenylsulfanium
CID 157470509
2-(Adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;tris([4-[2-oxo-2-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butoxy]ethoxy]phenyl]-diphenylsulfanium);1,1,2,2-tetrafluoro-4-(3-hydroxyadamantane-1-carbonyl)oxybutane-1-sulfonate
CID 157516858
2-[3-(2,2-Dimethylbutanoyloxy)adamantane-1-carbonyl]oxy-1,1-difluoroethanesulfonate;4-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;5-(2,2-dimethylbutanoyloxy)-1,1,2,2-tetrafluoropentane-1-sulfonate;pentakis(10-phenylphenoxathiin-10-ium);1,1,2,2-tetrafluoro-4-(2-methylbutanoyloxy)butane-1-sulfonate;1,1,2,2-tetrafluoro-5-(2-methylbutanoyloxy)pentane-1-sulfonate
CID 157728753
2-[4-[[4-[1,1-Bis[2-(1-adamantyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis(2-cyclohexylethoxy)ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-[1,1-bis[2-(4-oxocyclohexyl)ethoxy]ethyl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-(1,1-dibutoxyethyl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-(1,1-diethoxyethyl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[[4-(1,1-dipropoxyethyl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate
CID 157817586
Sodium;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;bis(2,2-difluoro-2-oxidoperoxysulfanylacetic acid);3-(hydroxymethyl)adamantan-1-ol;methane;[3-(4-methylphenoxy)-1-adamantyl]methyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;toluene;tetrakis(triphenylsulfanium);chloride
CID 158036859
Sodium;ethane-1,2-dithiol;methane;(4-oxo-1-adamantyl) 2,2-difluoroacetate;bis((4-oxo-1-adamantyl) 2,2-difluoropropanoate);tris([4-[2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethoxy]phenyl]-diphenylsulfanium);[4-(2-oxo-2-spiro[1,3-dithiolane-2,4'-adamantane]-1'-yloxyethoxy)phenyl]-diphenylsulfanium;spiro[1,3-dithiolane-2,4'-adamantane]-1'-yl 2,2-difluoropropanoate;sulfur trioxide;chloride
CID 158119013
2-(Adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;[4-[2-(2,2-dimethylbutanoyloxy)ethoxy]phenyl]-diphenylsulfanium
CID 158296944
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
1-Adamantylmethyl 2,2-difluoropropanoate;1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate;(3-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate;(4-hydroxyphenyl)-diphenylsulfanium;tris([4-(3-hydroxypropoxy)phenyl]-diphenylsulfanium);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;1,1,2,2,2-pentafluoroethanesulfonate;disulfite
CID 158465322
(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

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride?
The IUPAC name of tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride (CID 159123145) is tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride.
What is the SMILES notation for tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride?
The canonical SMILES for tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride is C.COC(=O)C(F)(F)SOOF.Cl.O=C(O)C(F)(F)SOO[O-].O=C1C2CC3CC1CC(O)(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.O=C1C2CC3CC1CC(OC(=O)C(F)(F)SOO[O-])(C3)C2.[Cl-].[Na+].[Na+].[Na+].[Na+].[OH-].c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Oc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride?
The InChIKey is ZTEWNOCLVDGHQM-UHFFFAOYSA-G. The full InChI is InChI=1S/2C36H28OS2.4C12H14F2O6S.C10H14O2.C3H3F3O4S.C2H2F2O5S.CH4.2ClH.4Na.H2O/c2*1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;13-12(14,21(17,18)19)10(16)20-11-3-6-1-7(4-11)9(15)8(2-6)5-11;3*13-12(14,21-20-19-17)10(16)18-11-3-6-1-7(4-11)9(15)8(2-6)5-11;11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;1-8-2(7)3(4,5)11-10-9-6;3-2(4,1(5)6)10-9-8-7;;;;;;;;/h2*1-28H;6-8H,1-5H2,(H,17,18,19);3*6-8,17H,1-5H2;6-8,12H,1-5H2;1H3;7H,(H,5,6);1H4;2*1H;;;;;1H2/q2*+2;;;;;;;;;;;4*+1;/p-7.
What are the key properties of tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride?
tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride has a molecular weight of 3105.02 g/mol, XLogP of 11.38, 42 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2,2-difluoro-2-oxidoperoxysulfanylacetic acid;1,1-difluoro-2-oxo-2-[(4-oxo-1-adamantyl)oxy]ethanesulfonate;bis([4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium);5-hydroxyadamantan-2-one;methane;methyl 2,2-difluoro-2-fluoroperoxysulfanylacetate;tris((4-oxo-1-adamantyl) 2,2-difluoro-2-oxidoperoxysulfanylacetate);chloride;hydroxide;hydrochloride is sourced from PubChem (CID 159123145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).