tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium

C131H167F20N3O37S11 — CID 158733147

IUPACtris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium
SMILESCCC(C(=O)OC(C)=O)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C(C(C)C)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C(CC)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C([S+](c1ccc(OC)cc1)c1ccc(OC)cc1)C(C)(C)C.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1
InChIInChI=1S/C22H29O4S.C21H27O4S.C20H23O5S.C20H25O4S.3C12H17F6NO5S2.C12H16F2O5S/c1-7-26-21(23)20(22(2,3)4)27(18-12-8-16(24-5)9-13-18)19-14-10-17(25-6)11-15-19;1-6-25-21(22)20(15(2)3)26(18-11-7-16(23-4)8-12-18)19-13-9-17(24-5)10-14-19;1-5-19(20(22)25-14(2)21)26(17-10-6-15(23-3)7-11-17)18-12-8-16(24-4)9-13-18;1-5-19(20(21)24-6-2)25(17-11-7-15(22-3)8-12-17)18-13-9-16(23-4)10-14-18;3*13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;13-12(14,20(16,17)18)10(15)19-11-4-7-1-8(5-11)3-9(2-7)6-11/h8-15,20H,7H2,1-6H3;7-15,20H,6H2,1-5H3;6-13,19H,5H2,1-4H3;7-14,19H,5-6H2,1-4H3;3*8-9H,1-7H2,(H,22,23,24);7-9H,1-6H2,(H,16,17,18)/q4*+1;;;;/p-4
InChIKeyILIQPTFQGNAOLY-UHFFFAOYSA-J
MW3108.46 g/mol
LogP24.96
Rot. Bonds48

About tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium

tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium (PubChem CID 158733147) has the molecular formula C131H167F20N3O37S11 and a molecular weight of 3108.46 g/mol. Its IUPAC name is tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium.

Molecular Properties

Compound Nametris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium
PubChem CID158733147
Molecular FormulaC131H167F20N3O37S11
Molecular Weight3108.46 g/mol
Exact Mass3105.79
IUPAC Nametris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium
SMILESCCC(C(=O)OC(C)=O)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C(C(C)C)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C(CC)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C([S+](c1ccc(OC)cc1)c1ccc(OC)cc1)C(C)(C)C.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1
InChIInChI=1S/C22H29O4S.C21H27O4S.C20H23O5S.C20H25O4S.3C12H17F6NO5S2.C12H16F2O5S/c1-7-26-21(23)20(22(2,3)4)27(18-12-8-16(24-5)9-13-18)19-14-10-17(25-6)11-15-19;1-6-25-21(22)20(15(2)3)26(18-11-7-16(23-4)8-12-18)19-13-9-17(24-5)10-14-19;1-5-19(20(22)25-14(2)21)26(17-10-6-15(23-3)7-11-17)18-12-8-16(24-4)9-13-18;1-5-19(20(21)24-6-2)25(17-11-7-15(22-3)8-12-17)18-13-9-16(23-4)10-14-18;3*13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;13-12(14,20(16,17)18)10(15)19-11-4-7-1-8(5-11)3-9(2-7)6-11/h8-15,20H,7H2,1-6H3;7-15,20H,6H2,1-5H3;6-13,19H,5H2,1-4H3;7-14,19H,5-6H2,1-4H3;3*8-9H,1-7H2,(H,22,23,24);7-9H,1-6H2,(H,16,17,18)/q4*+1;;;;/p-4
InChIKeyILIQPTFQGNAOLY-UHFFFAOYSA-J
XLogP24.96
TPSA563.35 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds48
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003108.46
LogP ≤ 524.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium with MolForge

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Related Compounds

3-(1-Adamantyloxy)-1,1-difluoro-3-oxopropane-1-sulfonate;[3,5-bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-(2,4,6-trimethylphenyl)sulfanium;1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)piperidine;4,4,5,5,6,6-hexafluoro-1lambda6-thia-2-azanidacyclohexane 1,1-dioxide;1,2,4,5-tetrafluoro-3-methyl-6-(4-methylsulfonylphenoxy)benzene;bis(triphenylsulfanium);tris(4-methoxyphenyl)sulfanium
CID 157149242
2-(1-adamantyl)-1,1-difluoroethanesulfonate;benzene;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium
CID 157226729
[2-(1-Adamantyloxy)-1,1-difluoro-2-oxoethyl]sulfonyl-(4-diphenylsulfoniophenoxy)sulfonylazanide;[2-(1-adamantyloxy)-1,1-difluoro-2-oxoethyl]sulfonyl-[4-[ethyl(phenyl)sulfonio]phenoxy]sulfonylazanide;[3-[tert-butyl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1-difluoro-2-[2-(oxiran-2-yl)acetyl]oxyethyl]sulfonyl-(4-diphenylsulfoniophenoxy)sulfonylazanide;(4-diphenylsulfoniophenoxy)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-methoxysulfonylpropyl)sulfonylazanide;(4-diphenylsulfoniophenoxy)sulfonyl-(1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropyl)sulfonylazanide;[4-[methyl(phenyl)sulfonio]phenoxy]sulfonyl-(trifluoromethylsulfonyl)azanide;2-[4-[phenyl(propan-2-yl)sulfonio]phenoxy]ethoxysulfonyl-(trifluoromethylsulfonyl)azanide
CID 157851992
bis(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);bis(2,4-dimethylphenyl)-(2-ethoxy-2-oxoethyl)sulfanium;bis(1-(1,1-difluoroethylsulfonyl)piperidine);(2,4-dimethylphenyl)-(2-oxo-2-propoxyethyl)-(2,4,6-trimethylphenyl)sulfanium;bis((2-ethoxy-2-oxoethyl)-bis(4-methoxyphenyl)sulfanium)
CID 158036402
Bis(methylsulfonyl)azanide;4-butylsulfonyl-1-(4-methoxynaphthalen-1-yl)thiomorpholin-1-ium;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1,1-dioxide;4-(4-methoxynaphthalen-1-yl)-1,4-dithian-4-ium 1-oxide;methylsulfonyl(trifluoromethylsulfonyl)azanide;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate
CID 158039109
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;2-(1-adamantylmethoxy)benzenesulfonic acid;4-(1-adamantylmethoxy)benzenesulfonic acid;1-cyclohexyl-3,5-di(propan-2-yl)benzene;4-dodecylsulfanyl-2,3,5,6-tetrafluorobenzenesulfonic acid;2-(1,1,2,2,3,3-hexafluoro-3-sulfanyloxypropyl)sulfinyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;sulfur trioxide
CID 158148469
2-(Adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;diphenyl-[4-(2-piperidin-1-ylethyl)phenyl]sulfanium;1,1,2,2,3,3-hexafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate;[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-diphenylsulfanium
CID 158413057
4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,3,5-tricyclohexyl-2-methylbenzene;2,3,3-trifluorobutyl adamantane-1-carboxylate;bis(triphenylsulfanium)
CID 158477547
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;1,1,1,2,2,3,3,4,4-nonafluoropentane;tris(triphenylsulfanium)
CID 158526046
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonic acid;1-adamantylmethyl 2,2-difluoropropanoate;(4-methoxyphenyl)-diphenylsulfanium;tris(triphenylsulfanium)
CID 158944981
4-(4-butoxynaphthalen-1-yl)-2,6-dimethyl-1,4-oxathian-4-ium;4-(4-butoxynaphthalen-1-yl)-1,4-oxathian-4-ium;bis(2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline);4-(4-methoxynaphthalen-1-yl)-1,4-oxathian-4-ium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate
CID 158994023
2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantylmethyl 2,2-difluoropropanoate;2,2-difluoropropyl adamantane-1-carboxylate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;(4-methoxyphenyl)-diphenylsulfanium;(4-oxo-1-adamantyl)methyl 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(triphenylsulfanium)
CID 159013096

Frequently Asked Questions

What is the IUPAC name of tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium?
The IUPAC name of tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium (CID 158733147) is tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium.
What is the SMILES notation for tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium?
The canonical SMILES for tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium is CCC(C(=O)OC(C)=O)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C(C(C)C)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C(CC)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CCOC(=O)C([S+](c1ccc(OC)cc1)c1ccc(OC)cc1)C(C)(C)C.O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.
What is the InChIKey of tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium?
The InChIKey is ILIQPTFQGNAOLY-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H29O4S.C21H27O4S.C20H23O5S.C20H25O4S.3C12H17F6NO5S2.C12H16F2O5S/c1-7-26-21(23)20(22(2,3)4)27(18-12-8-16(24-5)9-13-18)19-14-10-17(25-6)11-15-19;1-6-25-21(22)20(15(2)3)26(18-11-7-16(23-4)8-12-18)19-13-9-17(24-5)10-14-19;1-5-19(20(22)25-14(2)21)26(17-10-6-15(23-3)7-11-17)18-12-8-16(24-4)9-13-18;1-5-19(20(21)24-6-2)25(17-11-7-15(22-3)8-12-17)18-13-9-16(23-4)10-14-18;3*13-10(14,12(17,18)26(22,23)24)11(15,16)25(20,21)19-6-5-8-3-1-2-4-9(8)7-19;13-12(14,20(16,17)18)10(15)19-11-4-7-1-8(5-11)3-9(2-7)6-11/h8-15,20H,7H2,1-6H3;7-15,20H,6H2,1-5H3;6-13,19H,5H2,1-4H3;7-14,19H,5-6H2,1-4H3;3*8-9H,1-7H2,(H,22,23,24);7-9H,1-6H2,(H,16,17,18)/q4*+1;;;;/p-4.
What are the key properties of tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium?
tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium has a molecular weight of 3108.46 g/mol, XLogP of 24.96, 48 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonate);(1-acetyloxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;2-(1-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;(1-ethoxy-3,3-dimethyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-3-methyl-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium;(1-ethoxy-1-oxobutan-2-yl)-bis(4-methoxyphenyl)sulfanium is sourced from PubChem (CID 158733147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).