benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)

C230H195Cl7F12I9NO39S9-2 — CID 158570383

About benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)

benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate) (PubChem CID 158570383) has the molecular formula C230H195Cl7F12I9NO39S9-2 and a molecular weight of 5503.94 g/mol. Its IUPAC name is benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)
• PubChem CID: 158570383
• Molecular Formula: C230H195Cl7F12I9NO39S9-2
• Molecular Weight: 5503.94 g/mol
• Exact Mass: 5496.98
• IUPAC Name: benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)
• SMILES: CCCCCCCCCCCCC.CCCCOC(=O)c1ccccc1SOO[O-].COC(=O)c1cccc([I+]c2cccc(C(=O)OC)c2)c1.COc1c2ccccc2c(OC)c2cc(SOO[O-])ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].Cc1ccc([I+]c2ccc(C)c(C)c2)cc1C.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I-]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.FC(F)(F)c1ccc([I+]c2ccc(C(F)(F)F)cc2)cc1.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.[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.c1ccc2c(c1)[I+]c1ccccc1-2
• InChI: InChI=1S/C16H14IO4.C16H18I.C16H13NO3S.C16H14O5S.C16H10O3S.C14H8F6I.2C14H14I.C14H8O5S.C14H12O5S.C13H28.C12H6Cl4I.C12H8Cl2I.C12H7ClI.C12H8I.C11H14O5S.C6H6O3S.2CHF3O3S/c1-20-15(18)11-5-3-7-13(9-11)17-14-8-4-6-12(10-14)16(19)21-2;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-18-15-11-5-3-4-6-12(11)16(19-2)14-9-10(22-21-20-17)7-8-13(14)15;17-20(18,19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11;15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;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;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;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;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;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;1-2-3-8-14-11(12)9-6-4-5-7-10(9)17-16-15-13;7-10(8,9)6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7/h3-10H,1-2H3;5-10H,1-4H3;1-11,17-18H;3-9,17H,1-2H3;1-9H,(H,17,18,19);1-8H;2*3-10H,1-2H3;1-7H,(H,17,18,19);2-9H,1H3,(H,16,17,18);3-13H2,1-2H3;1-6H;1-8H;1-7H;1-8H;4-7,13H,2-3,8H2,1H3;1-5H,(H,7,8,9);2*(H,5,6,7)/q2*+1;;;;+1;-1;+1;;;;4*+1;;;;/p-9
• InChIKey: BLRQQYMAQXXQKD-UHFFFAOYSA-E
• XLogP: 28.57
• TPSA: 637.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 43
• Rotatable Bonds: 50
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5503.94
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)?

The IUPAC name of benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate) (CID 158570383) is benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate).

What is the SMILES notation for benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)?

The canonical SMILES for benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate) is CCCCCCCCCCCCC.CCCCOC(=O)c1ccccc1SOO[O-].COC(=O)c1cccc([I+]c2cccc(C(=O)OC)c2)c1.COc1c2ccccc2c(OC)c2cc(SOO[O-])ccc12.COc1ccc(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].Cc1ccc([I+]c2ccc(C)c(C)c2)cc1C.Cc1ccc([I+]c2ccc(C)cc2)cc1.Cc1ccc([I-]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2Cl)c(Cl)c1.Clc1cccc2c1[I+]c1ccccc1-2.FC(F)(F)c1ccc([I+]c2ccc(C(F)(F)F)cc2)cc1.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.[O-]OOSc1ccc2cccc(Nc3ccccc3)c2c1.c1ccc2c(c1)[I+]c1ccccc1-2.

What is the InChIKey of benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)?

The InChIKey is BLRQQYMAQXXQKD-UHFFFAOYSA-E. The full InChI is InChI=1S/C16H14IO4.C16H18I.C16H13NO3S.C16H14O5S.C16H10O3S.C14H8F6I.2C14H14I.C14H8O5S.C14H12O5S.C13H28.C12H6Cl4I.C12H8Cl2I.C12H7ClI.C12H8I.C11H14O5S.C6H6O3S.2CHF3O3S/c1-20-15(18)11-5-3-7-13(9-11)17-14-8-4-6-12(10-14)16(19)21-2;1-11-5-7-15(9-13(11)3)17-16-8-6-12(2)14(4)10-16;18-19-20-21-14-10-9-12-5-4-8-16(15(12)11-14)17-13-6-2-1-3-7-13;1-18-15-11-5-3-4-6-12(11)16(19-2)14-9-10(22-21-20-17)7-8-13(14)15;17-20(18,19)14-8-12-6-4-10-2-1-3-11-5-7-13(9-14)16(12)15(10)11;15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20;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;1-19-12-8-7-11(9-13(12)20(16,17)18)14(15)10-5-3-2-4-6-10;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;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;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;1-2-3-8-14-11(12)9-6-4-5-7-10(9)17-16-15-13;7-10(8,9)6-4-2-1-3-5-6;2*2-1(3,4)8(5,6)7/h3-10H,1-2H3;5-10H,1-4H3;1-11,17-18H;3-9,17H,1-2H3;1-9H,(H,17,18,19);1-8H;2*3-10H,1-2H3;1-7H,(H,17,18,19);2-9H,1H3,(H,16,17,18);3-13H2,1-2H3;1-6H;1-8H;1-7H;1-8H;4-7,13H,2-3,8H2,1H3;1-5H,(H,7,8,9);2*(H,5,6,7)/q2*+1;;;;+1;-1;+1;;;;4*+1;;;;/p-9.

What are the key properties of benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate)?

benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate) has a molecular weight of 5503.94 g/mol, XLogP of 28.57, 50 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for benzenesulfonate;5-benzoyl-2-methoxybenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(2,4-dichlorophenyl)iodanium;bis(3,4-dimethylphenyl)iodanium;bis(3-methoxycarbonylphenyl)iodanium;bis(4-methylphenyl)iodanium;bis[4-(trifluoromethyl)phenyl]iodanium;butyl 2-oxidoperoxysulfanylbenzoate;6-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene;9,10-dimethoxy-2-oxidoperoxysulfanylanthracene;9,10-dioxoanthracene-2-sulfonate;8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;1-methyl-4-(4-methylphenyl)iodanuidylbenzene;7-oxidoperoxysulfanyl-N-phenylnaphthalen-1-amine;pyrene-2-sulfonate;tridecane;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 158570383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).