4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)

C128H126O19S6 — CID 158125550

About 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)

4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) (PubChem CID 158125550) has the molecular formula C128H126O19S6 and a molecular weight of 2160.80 g/mol. Its IUPAC name is 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)
• PubChem CID: 158125550
• Molecular Formula: C128H126O19S6
• Molecular Weight: 2160.80 g/mol
• Exact Mass: 2158.72
• IUPAC Name: 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)
• SMILES: CCC(C)c1ccc(OC(=O)CCCOC(=O)c2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1.CCC(C)c1ccc(OCCCCC(=O)Oc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C25H28O6S.C24H25S.C22H22O6S.C21H24O7S.2C18H15S/c1-3-18(2)19-11-13-20(14-12-19)30-17-7-6-10-25(26)31-23-15-16-24(32(27,28)29)22-9-5-4-8-21(22)23;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-3-15(2)16-8-10-17(11-9-16)27-14-22(23)28-20-12-13-21(29(24,25)26)19-7-5-4-6-18(19)20;1-3-15(2)16-9-11-18(12-10-16)28-20(22)8-5-13-27-21(23)17-6-4-7-19(14-17)29(24,25)26;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-5,8-9,11-16,18H,3,6-7,10,17H2,1-2H3,(H,27,28,29);2-3,6-9,12-20H,1,4-5,10-11H2;4-13,15H,3,14H2,1-2H3,(H,24,25,26);4,6-7,9-12,14-15H,3,5,8,13H2,1-2H3,(H,24,25,26);2*1-15H/q;+1;;;2*+1/p-3
• InChIKey: FSCXSCZVSRXJIO-UHFFFAOYSA-K
• XLogP: 29.69
• TPSA: 295.26 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.80
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

The IUPAC name of 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) (CID 158125550) is 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium).

What is the SMILES notation for 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

The canonical SMILES for 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) is CCC(C)c1ccc(OC(=O)CCCOC(=O)c2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OCC(=O)Oc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1.CCC(C)c1ccc(OCCCCC(=O)Oc2ccc(S(=O)(=O)[O-])c3ccccc23)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

The InChIKey is FSCXSCZVSRXJIO-UHFFFAOYSA-K. The full InChI is InChI=1S/C25H28O6S.C24H25S.C22H22O6S.C21H24O7S.2C18H15S/c1-3-18(2)19-11-13-20(14-12-19)30-17-7-6-10-25(26)31-23-15-16-24(32(27,28)29)22-9-5-4-8-21(22)23;1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-3-15(2)16-8-10-17(11-9-16)27-14-22(23)28-20-12-13-21(29(24,25)26)19-7-5-4-6-18(19)20;1-3-15(2)16-9-11-18(12-10-16)28-20(22)8-5-13-27-21(23)17-6-4-7-19(14-17)29(24,25)26;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h4-5,8-9,11-16,18H,3,6-7,10,17H2,1-2H3,(H,27,28,29);2-3,6-9,12-20H,1,4-5,10-11H2;4-13,15H,3,14H2,1-2H3,(H,24,25,26);4,6-7,9-12,14-15H,3,5,8,13H2,1-2H3,(H,24,25,26);2*1-15H/q;+1;;;2*+1/p-3.

What are the key properties of 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium)?

4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) has a molecular weight of 2160.80 g/mol, XLogP of 29.69, 36 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4-butan-2-ylphenoxy)acetyl]oxynaphthalene-1-sulfonate;3-[4-(4-butan-2-ylphenoxy)-4-oxobutoxy]carbonylbenzenesulfonate;4-[5-(4-butan-2-ylphenoxy)pentanoyloxy]naphthalene-1-sulfonate;(4-cyclohexylphenyl)-diphenylsulfanium;bis(triphenylsulfanium) is sourced from PubChem (CID 158125550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).