4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)

C195H184N2O29S10 — CID 158957679

About 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)

4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium) (PubChem CID 158957679) has the molecular formula C195H184N2O29S10 and a molecular weight of 3340.27 g/mol. Its IUPAC name is 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)
• PubChem CID: 158957679
• Molecular Formula: C195H184N2O29S10
• Molecular Weight: 3340.27 g/mol
• Exact Mass: 3337.02
• IUPAC Name: 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)
• SMILES: CCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[O-])c(C)c2)cc1.CCC(C)c1ccc(OCC(=O)Nc2cccc3c(S(=O)(=O)[O-])cccc23)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc(S(=O)(=O)[O-])cc2OC)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc3cc(S(=O)(=O)[O-])ccc3c2)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H23NO5S.2C22H22O6S.C19H23NO5S.C19H22O7S.C19H17S.4C18H15S/c1-3-15(2)16-10-12-17(13-11-16)28-14-22(24)23-20-8-4-7-19-18(20)6-5-9-21(19)29(25,26)27;1-3-15(2)16-4-8-19(9-5-16)27-14-22(23)28-20-10-6-18-13-21(29(24,25)26)11-7-17(18)12-20;1-3-15(2)16-4-8-19(9-5-16)27-14-22(23)28-20-10-6-17-7-11-21(29(24,25)26)13-18(17)12-20;1-4-13(2)15-5-8-17(9-6-15)25-12-19(21)20-16-7-10-18(14(3)11-16)26(22,23)24;1-4-13(2)14-5-7-15(8-6-14)25-12-19(20)26-17-10-9-16(27(21,22)23)11-18(17)24-3;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-13,15H,3,14H2,1-2H3,(H,23,24)(H,25,26,27);2*4-13,15H,3,14H2,1-2H3,(H,24,25,26);5-11,13H,4,12H2,1-3H3,(H,20,21)(H,22,23,24);5-11,13H,4,12H2,1-3H3,(H,21,22,23);2-15H,1H3;4*1-15H/q;;;;;5*+1/p-5
• InChIKey: JMFGISOLDVCEER-UHFFFAOYSA-I
• XLogP: 43.50
• TPSA: 478.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 51
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3340.27
LogP ≤ 5	43.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)?

The IUPAC name of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium) (CID 158957679) is 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium).

What is the SMILES notation for 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)?

The canonical SMILES for 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium) is CCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[O-])c(C)c2)cc1.CCC(C)c1ccc(OCC(=O)Nc2cccc3c(S(=O)(=O)[O-])cccc23)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc(S(=O)(=O)[O-])cc2OC)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc3cc(S(=O)(=O)[O-])ccc3c2)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc3ccc(S(=O)(=O)[O-])cc3c2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)?

The InChIKey is JMFGISOLDVCEER-UHFFFAOYSA-I. The full InChI is InChI=1S/C22H23NO5S.2C22H22O6S.C19H23NO5S.C19H22O7S.C19H17S.4C18H15S/c1-3-15(2)16-10-12-17(13-11-16)28-14-22(24)23-20-8-4-7-19-18(20)6-5-9-21(19)29(25,26)27;1-3-15(2)16-4-8-19(9-5-16)27-14-22(23)28-20-10-6-18-13-21(29(24,25)26)11-7-17(18)12-20;1-3-15(2)16-4-8-19(9-5-16)27-14-22(23)28-20-10-6-17-7-11-21(29(24,25)26)13-18(17)12-20;1-4-13(2)15-5-8-17(9-6-15)25-12-19(21)20-16-7-10-18(14(3)11-16)26(22,23)24;1-4-13(2)14-5-7-15(8-6-14)25-12-19(20)26-17-10-9-16(27(21,22)23)11-18(17)24-3;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-13,15H,3,14H2,1-2H3,(H,23,24)(H,25,26,27);2*4-13,15H,3,14H2,1-2H3,(H,24,25,26);5-11,13H,4,12H2,1-3H3,(H,20,21)(H,22,23,24);5-11,13H,4,12H2,1-3H3,(H,21,22,23);2-15H,1H3;4*1-15H/q;;;;;5*+1/p-5.

What are the key properties of 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium)?

4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium) has a molecular weight of 3340.27 g/mol, XLogP of 43.50, 51 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methylbenzenesulfonate;5-[[2-(4-butan-2-ylphenoxy)acetyl]amino]naphthalene-1-sulfonate;4-[2-(4-butan-2-ylphenoxy)acetyl]oxy-3-methoxybenzenesulfonate;6-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;7-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-2-sulfonate;(4-methylphenyl)-diphenylsulfanium;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 158957679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).