benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate

C182H180Cl5F6I7O24S7 — CID 160988074

IUPACbenzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCCCCCC.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1cc2ccc3cccc4ccc(c1)c2c34.O=S(=O)([O-])c1ccccc1.c1ccc2c([I+]c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)[I+]c1ccccc1-2
InChIInChI=1S/C22H30I.C20H14I.C16H10O3S.C15H24O3S.2C14H14I.C14H8O5S.C13H28.C12H6Cl4I.C12H7ClI.C12H8I.C10H16O4S.C6H6O3S.2CHF3O3S/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;17-20(18,19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;1-3-5-7-9-11-13-12-10-8-6-4-2;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;7-10(8,9)6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7/h9-16H,7-8H2,1-6H3;1-14H;1-9H,(H,17,18,19);7-11H,1-6H3,(H,16,17,18);2*3-10H,1-2H3;1-7H,(H,17,18,19);3-13H2,1-2H3;1-6H;1-7H;1-8H;7H,3-6H2,1-2H3,(H,12,13,14);1-5H,(H,7,8,9);2*(H,5,6,7)/q2*+1;;;2*+1;;;3*+1;;;;/p-7
InChIKeyTUGAWTQHPSBDPL-UHFFFAOYSA-G
MW4155.47 g/mol
LogP24.60
Rot. Bonds33

About benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate

benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate (PubChem CID 160988074) has the molecular formula C182H180Cl5F6I7O24S7 and a molecular weight of 4155.47 g/mol. Its IUPAC name is benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate.

Molecular Properties

Compound Namebenzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate
PubChem CID160988074
Molecular FormulaC182H180Cl5F6I7O24S7
Molecular Weight4155.47 g/mol
Exact Mass4150.26
IUPAC Namebenzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCCCCCC.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1cc2ccc3cccc4ccc(c1)c2c34.O=S(=O)([O-])c1ccccc1.c1ccc2c([I+]c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)[I+]c1ccccc1-2
InChIInChI=1S/C22H30I.C20H14I.C16H10O3S.C15H24O3S.2C14H14I.C14H8O5S.C13H28.C12H6Cl4I.C12H7ClI.C12H8I.C10H16O4S.C6H6O3S.2CHF3O3S/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;17-20(18,19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;1-3-5-7-9-11-13-12-10-8-6-4-2;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;7-10(8,9)6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7/h9-16H,7-8H2,1-6H3;1-14H;1-9H,(H,17,18,19);7-11H,1-6H3,(H,16,17,18);2*3-10H,1-2H3;1-7H,(H,17,18,19);3-13H2,1-2H3;1-6H;1-7H;1-8H;7H,3-6H2,1-2H3,(H,12,13,14);1-5H,(H,7,8,9);2*(H,5,6,7)/q2*+1;;;2*+1;;;3*+1;;;;/p-7
InChIKeyTUGAWTQHPSBDPL-UHFFFAOYSA-G
XLogP24.60
TPSA451.61 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004155.47
LogP ≤ 524.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate with MolForge

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Related Compounds

bis(4-fluorophenyl)iodanium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 23114451
(4-tert-butylphenyl)-diphenylsulfanium;1,1-dioxo-1,2-benzothiazol-3-one;diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;4-fluoro-3,5-dimethylbenzenesulfonate;[4-(hydroxymethyl)phenyl]-diphenylsulfanium;methanesulfonate;methyl(diphenyl)sulfanium;naphthalene-1-sulfonate;bis(2,3,4,5,6-pentafluorobenzenesulfonate);5-phenyldibenzothiophen-5-ium;tetradecane-1-sulfonate;hexakis(triphenylsulfanium);tris(2,4,6-tri(propan-2-yl)benzenesulfonate)
CID 159069907
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;diphenyl-(2,4,6-trihexylphenyl)sulfanium
CID 157333387
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;(4-dodecylphenyl)-diphenylsulfanium
CID 159051016
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;1-methyl-3,5-bis(trifluoromethyl)benzene;[4-(2-methylbutan-2-yl)phenyl]-(4-propylphenyl)iodanium;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);pentakis(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);2-(thiolan-1-ium-1-yl)-2,3-dihydroinden-1-one;toluene;trifluoromethanesulfonate;2,4,6-tri(propan-2-yl)benzenesulfonate;1,2-xylene
CID 159513884
benzenesulfonic acid;9,10-dioxoanthracene-2-sulfonic acid;9-methyl-9H-fluorene;1-methyl-4-[(4-methylphenyl)methyl]benzene;pyrene-2-sulfonic acid;tridecane
CID 91179657
(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;(4-fluorophenyl)-diphenylsulfanium
CID 23114472
bis[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-phenylsulfanium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
CID 159523688
2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate;1-(1,1-difluoroethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;1-(1,1-difluoroethylsulfonyl)azocane;1-(1,1-difluoroethylsulfonyl)-2,6-dimethylpiperidine;4-(1,1-difluoroethylsulfonyl)morpholine;1-(1,1-difluoroethylsulfonyl)pyrrolidine;1-(1,1-difluoroethylsulfonyl)-2,2,6,6-tetramethylpiperidine;1-dodecoxy-2,3,5,6-tetrafluoro-4-methylbenzene;1-dodecylsulfanyl-2,3,5,6-tetrafluoro-4-methylbenzene;1-ethyl-7,7-dimethylbicyclo[2.2.1]heptan-2-one;1-methyl-4-propan-2-ylbenzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,2,4,5-tetrafluoro-3-methyl-6-octadecoxybenzene;1,2,4,5-tetrafluoro-3-methyl-6-tetradecoxybenzene;1,1,2,2-tetrafluoro-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate
CID 162133733
adamantane-1-carboxylate;4-(anthracene-9-carbonyloxy)butane-1-sulfonate;3-benzoylbenzoate;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;4-tert-butylbenzoate;3-carboxynaphthalen-2-olate;cyclohexanecarboxylate;bis(cyclohexyl(trimethyl)azanium);bis(diphenyliodanium);3-(2-methylbutan-2-yl)cyclohexan-1-one;3-(naphthalene-2-carbonyloxy)propane-1-sulfonate;octanoate;2-phenylacetate;tris(tetrabutylazanium);tetrakis(2-methoxyethyl)azanium;3,3,3-trifluoro-2-hydroxy-2-methylpropanoate;2,4,6-tri(propan-2-yl)benzenesulfonate;bis(tris(2-hydroxyethyl)-methylazanium)
CID 159585347
bis(4-tert-butylphenyl)iodanium;bis(4-butan-2-ylbenzenesulfonate);1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[2-(2,2-dimethylbutanoyloxy)ethoxy]-2,3,5,6-tetrafluorobenzenesulfonate;4-[3-(2,2-dimethylbutanoyloxy)propoxy]-2,3,5,6-tetrafluorobenzenesulfonate;methane;(4-methylphenyl)-diphenylsulfanium
CID 158150912
[(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate;methyl (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 131739339

Frequently Asked Questions

What is the IUPAC name of benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate?
The IUPAC name of benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate (CID 160988074) is benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate.
What is the SMILES notation for benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate?
The canonical SMILES for benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate is CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CCC(C)(C)c1ccc([I+]c2ccc(C(C)(C)CC)cc2)cc1.CCCCCCCCCCCCC.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1cc2ccc3cccc4ccc(c1)c2c34.O=S(=O)([O-])c1ccccc1.c1ccc2c([I+]c3cccc4ccccc34)cccc2c1.c1ccc2c(c1)[I+]c1ccccc1-2.
What is the InChIKey of benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate?
The InChIKey is TUGAWTQHPSBDPL-UHFFFAOYSA-G. The full InChI is InChI=1S/C22H30I.C20H14I.C16H10O3S.C15H24O3S.2C14H14I.C14H8O5S.C13H28.C12H6Cl4I.C12H7ClI.C12H8I.C10H16O4S.C6H6O3S.2CHF3O3S/c1-7-21(3,4)17-9-13-19(14-10-17)23-20-15-11-18(12-16-20)22(5,6)8-2;1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20;17-20(18,19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11;1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;1-3-5-7-9-11-13-12-10-8-6-4-2;13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;7-10(8,9)6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7/h9-16H,7-8H2,1-6H3;1-14H;1-9H,(H,17,18,19);7-11H,1-6H3,(H,16,17,18);2*3-10H,1-2H3;1-7H,(H,17,18,19);3-13H2,1-2H3;1-6H;1-7H;1-8H;7H,3-6H2,1-2H3,(H,12,13,14);1-5H,(H,7,8,9);2*(H,5,6,7)/q2*+1;;;2*+1;;;3*+1;;;;/p-7.
What are the key properties of benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate?
benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate has a molecular weight of 4155.47 g/mol, XLogP of 24.60, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonate;bis(2,4-dichlorophenyl)iodanium;bis[4-(2-methylbutan-2-yl)phenyl]iodanium;bis(bis(4-methylphenyl)iodanium);6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate;dinaphthalen-1-yliodanium;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate);2,4,6-tri(propan-2-yl)benzenesulfonate is sourced from PubChem (CID 160988074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).