3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)

C188H191O31S11-3 — CID 158775830

About 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)

3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium) (PubChem CID 158775830) has the molecular formula C188H191O31S11-3 and a molecular weight of 3299.30 g/mol. Its IUPAC name is 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)
• PubChem CID: 158775830
• Molecular Formula: C188H191O31S11-3
• Molecular Weight: 3299.30 g/mol
• Exact Mass: 3296.03
• IUPAC Name: 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)
• SMILES: CCC(C)c1ccc(OC(=O)c2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OC(=O)c2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OCc2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc2cc(OCCCS(=O)(=O)[O-])ccc2c1.CCC(C)c1cccc(COCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1cccc(OCCCS(=O)(=O)[O-])c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H22O4S.4C18H15S.3C17H18O5S.C17H22O4S.C17H20O4S.C13H20O4S/c1-3-14(2)17-6-4-5-16(11-17)13-22-12-15-7-9-18(10-8-15)23(19,20)21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-4-8-15(9-5-13)22-17(18)14-6-10-16(11-7-14)23(19,20)21;1-3-12(2)13-7-9-15(10-8-13)22-17(18)14-5-4-6-16(11-14)23(19,20)21;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)14-5-6-16-12-17(8-7-15(16)11-14)21-9-4-10-22(18,19)20;1-3-13(2)15-7-9-16(10-8-15)21-12-14-5-4-6-17(11-14)22(18,19)20;1-3-11(2)12-6-4-7-13(10-12)17-8-5-9-18(14,15)16/h4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);4*1-15H;3*4-12H,3H2,1-2H3,(H,19,20,21);5-8,11-13H,3-4,9-10H2,1-2H3,(H,18,19,20);4-11,13H,3,12H2,1-2H3,(H,18,19,20);4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,14,15,16)/q;4*+1;;;;;;/p-7
• InChIKey: IQLOYDVTPHSUQS-UHFFFAOYSA-G
• XLogP: 42.78
• TPSA: 516.22 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 54
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3299.30
LogP ≤ 5	42.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

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 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)?

The IUPAC name of 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium) (CID 158775830) is 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium).

What is the SMILES notation for 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)?

The canonical SMILES for 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium) is CCC(C)c1ccc(OC(=O)c2ccc(S(=O)(=O)[O-])cc2)cc1.CCC(C)c1ccc(OC(=O)c2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc(OC(=O)c2ccccc2S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OCc2cccc(S(=O)(=O)[O-])c2)cc1.CCC(C)c1ccc2cc(OCCCS(=O)(=O)[O-])ccc2c1.CCC(C)c1cccc(COCc2ccc(S(=O)(=O)[O-])cc2)c1.CCC(C)c1cccc(OCCCS(=O)(=O)[O-])c1.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 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)?

The InChIKey is IQLOYDVTPHSUQS-UHFFFAOYSA-G. The full InChI is InChI=1S/C18H22O4S.4C18H15S.3C17H18O5S.C17H22O4S.C17H20O4S.C13H20O4S/c1-3-14(2)17-6-4-5-16(11-17)13-22-12-15-7-9-18(10-8-15)23(19,20)21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-12(2)13-4-8-15(9-5-13)22-17(18)14-6-10-16(11-7-14)23(19,20)21;1-3-12(2)13-7-9-15(10-8-13)22-17(18)14-5-4-6-16(11-14)23(19,20)21;1-3-12(2)13-8-10-14(11-9-13)22-17(18)15-6-4-5-7-16(15)23(19,20)21;1-3-13(2)14-5-6-16-12-17(8-7-15(16)11-14)21-9-4-10-22(18,19)20;1-3-13(2)15-7-9-16(10-8-15)21-12-14-5-4-6-17(11-14)22(18,19)20;1-3-11(2)12-6-4-7-13(10-12)17-8-5-9-18(14,15)16/h4-11,14H,3,12-13H2,1-2H3,(H,19,20,21);4*1-15H;3*4-12H,3H2,1-2H3,(H,19,20,21);5-8,11-13H,3-4,9-10H2,1-2H3,(H,18,19,20);4-11,13H,3,12H2,1-2H3,(H,18,19,20);4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,14,15,16)/q;4*+1;;;;;;/p-7.

What are the key properties of 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium)?

3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium) has a molecular weight of 3299.30 g/mol, XLogP of 42.78, 54 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-butan-2-ylnaphthalen-2-yl)oxypropane-1-sulfonate;2-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;4-(4-butan-2-ylphenoxy)carbonylbenzenesulfonate;3-[(4-butan-2-ylphenoxy)methyl]benzenesulfonate;3-(3-butan-2-ylphenoxy)propane-1-sulfonate;4-[(3-butan-2-ylphenyl)methoxymethyl]benzenesulfonate;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 158775830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).