2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium

C130H146O25S8 — CID 159119026

About 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium

2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium (PubChem CID 159119026) has the molecular formula C130H146O25S8 and a molecular weight of 2365.11 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium.

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium
• PubChem CID: 159119026
• Molecular Formula: C130H146O25S8
• Molecular Weight: 2365.11 g/mol
• Exact Mass: 2362.79
• IUPAC Name: 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium
• SMILES: CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCCS(=O)(=O)[O-])C1CC2CCC1C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C1C2CC3OC(=O)C1C3C2.O=C(OCCS(=O)(=O)[O-])C1C2CC3OC(=O)C1C3O2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C30H39S.C19H17S.2C18H15S.C13H20O5S.C11H14O7S.C11H18O5S.C10H12O8S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;12-10(17-1-2-19(14,15)16)8-5-3-6-7(4-5)18-11(13)9(6)8;12-11(16-4-1-5-17(13,14)15)10-7-8-2-3-9(10)6-8;11-9(16-1-2-19(13,14)15)6-4-3-5-8(17-4)7(6)10(12)18-5/h10-21H,1-9H3;2-15H,1H3;2*1-15H;9-11H,1-8H2,(H,15,16,17);5-9H,1-4H2,(H,14,15,16);8-10H,1-7H2,(H,13,14,15);4-8H,1-3H2,(H,13,14,15)/q4*+1;;;;/p-4
• InChIKey: KFLJMGUDBCTQEP-UHFFFAOYSA-J
• XLogP: 23.20
• TPSA: 395.83 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 29
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.11
LogP ≤ 5	23.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium?

The IUPAC name of 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium (CID 159119026) is 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium.

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium is CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCCS(=O)(=O)[O-])C1CC2CCC1C2.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C1C2CC3OC(=O)C1C3C2.O=C(OCCS(=O)(=O)[O-])C1C2CC3OC(=O)C1C3O2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium?

The InChIKey is KFLJMGUDBCTQEP-UHFFFAOYSA-J. The full InChI is InChI=1S/C30H39S.C19H17S.2C18H15S.C13H20O5S.C11H14O7S.C11H18O5S.C10H12O8S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-12(18-1-2-19(15,16)17)13-6-9-3-10(7-13)5-11(4-9)8-13;12-10(17-1-2-19(14,15)16)8-5-3-6-7(4-5)18-11(13)9(6)8;12-11(16-4-1-5-17(13,14)15)10-7-8-2-3-9(10)6-8;11-9(16-1-2-19(13,14)15)6-4-3-5-8(17-4)7(6)10(12)18-5/h10-21H,1-9H3;2-15H,1H3;2*1-15H;9-11H,1-8H2,(H,15,16,17);5-9H,1-4H2,(H,14,15,16);8-10H,1-7H2,(H,13,14,15);4-8H,1-3H2,(H,13,14,15)/q4*+1;;;;/p-4.

What are the key properties of 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium?

2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium has a molecular weight of 2365.11 g/mol, XLogP of 23.20, 29 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)ethanesulfonate;3-(bicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;(4-methylphenyl)-diphenylsulfanium;2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;bis(triphenylsulfanium);tris(4-tert-butylphenyl)sulfanium is sourced from PubChem (CID 159119026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).