4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)

C182H238F5O22S5+ — CID 160664183

About 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)

4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium) (PubChem CID 160664183) has the molecular formula C182H238F5O22S5+ and a molecular weight of 3033.21 g/mol. Its IUPAC name is 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)
• PubChem CID: 160664183
• Molecular Formula: C182H238F5O22S5+
• Molecular Weight: 3033.21 g/mol
• Exact Mass: 3030.60
• IUPAC Name: 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)
• SMILES: CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)c1ccc(C(=O)C[S+]2CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.Cc1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C26H36O3.2C18H15S.C16H23OS.C15H22O3.C15H22O2.C14H22O2.C14H22O.C10H14O3S.2C10H14O.C9H18O5S.C7H3F5/c1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)14-6-8-15(9-7-14)16(17)12-18-10-4-5-11-18;1-6-15(3,4)14(16)18-11(2)12-7-9-13(17-5)10-8-12;1-6-15(4,5)14(16)17-12(3)13-9-7-11(2)8-10-13;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;2*1-3-8(2)9-4-6-10(11)7-5-9;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-2-3(8)5(10)7(12)6(11)4(2)9/h10-17,20-21,23H,4-9,18-19H2,1-3H3;2*1-15H;6-9,13H,3-5,10-12H2,1-2H3;7-11H,6H2,1-5H3;7-10,12H,6H2,1-5H3;7-12H,5-6H2,1-4H3;7-11H,6H2,1-5H3;4-8H,3H2,1-2H3,(H,11,12,13);2*4-8,11H,3H2,1-2H3;4-7H2,1-3H3,(H,11,12,13);1H3/q;3*+1;;;;;;;;;/p-2
• InChIKey: RMBMBJBEASAKCU-UHFFFAOYSA-L
• XLogP: 48.04
• TPSA: 315.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 52
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3033.21
LogP ≤ 5	48.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)?

The IUPAC name of 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium) (CID 160664183) is 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium).

What is the SMILES notation for 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)?

The canonical SMILES for 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium) is CCC(C)(C)C(=O)OC(C)c1ccc(C)cc1.CCC(C)(C)C(=O)OC(C)c1ccc(OC)cc1.CCC(C)(C)C(=O)OCCCS(=O)(=O)[O-].CCC(C)c1ccc(C(=O)C[S+]2CCCC2)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OC(C)(C)C)cc1.CCC(C)c1ccc(OC(C)OCCOc2ccc(C3CCCCC3)cc2)cc1.CCC(C)c1ccc(S(=O)(=O)[O-])cc1.CCOC(C)Oc1ccc(C(C)CC)cc1.Cc1c(F)c(F)c(F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)?

The InChIKey is RMBMBJBEASAKCU-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H36O3.2C18H15S.C16H23OS.C15H22O3.C15H22O2.C14H22O2.C14H22O.C10H14O3S.2C10H14O.C9H18O5S.C7H3F5/c1-4-20(2)22-10-16-26(17-11-22)29-21(3)27-18-19-28-25-14-12-24(13-15-25)23-8-6-5-7-9-23;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13(2)14-6-8-15(9-7-14)16(17)12-18-10-4-5-11-18;1-6-15(3,4)14(16)18-11(2)12-7-9-13(17-5)10-8-12;1-6-15(4,5)14(16)17-12(3)13-9-7-11(2)8-10-13;1-5-11(3)13-7-9-14(10-8-13)16-12(4)15-6-2;1-6-11(2)12-7-9-13(10-8-12)15-14(3,4)5;1-3-8(2)9-4-6-10(7-5-9)14(11,12)13;2*1-3-8(2)9-4-6-10(11)7-5-9;1-4-9(2,3)8(10)14-6-5-7-15(11,12)13;1-2-3(8)5(10)7(12)6(11)4(2)9/h10-17,20-21,23H,4-9,18-19H2,1-3H3;2*1-15H;6-9,13H,3-5,10-12H2,1-2H3;7-11H,6H2,1-5H3;7-10,12H,6H2,1-5H3;7-12H,5-6H2,1-4H3;7-11H,6H2,1-5H3;4-8H,3H2,1-2H3,(H,11,12,13);2*4-8,11H,3H2,1-2H3;4-7H2,1-3H3,(H,11,12,13);1H3/q;3*+1;;;;;;;;;/p-2.

What are the key properties of 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium)?

4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium) has a molecular weight of 3033.21 g/mol, XLogP of 48.04, 52 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butan-2-ylbenzenesulfonate;1-butan-2-yl-4-[1-[2-(4-cyclohexylphenoxy)ethoxy]ethoxy]benzene;1-butan-2-yl-4-(1-ethoxyethoxy)benzene;1-butan-2-yl-4-[(2-methylpropan-2-yl)oxy]benzene;bis(4-butan-2-ylphenol);1-(4-butan-2-ylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;3-(2,2-dimethylbutanoyloxy)propane-1-sulfonate;1-(4-methoxyphenyl)ethyl 2,2-dimethylbutanoate;1-(4-methylphenyl)ethyl 2,2-dimethylbutanoate;1,2,3,4,5-pentafluoro-6-methylbenzene;bis(triphenylsulfanium) is sourced from PubChem (CID 160664183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).