1-[[1-Benzyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-3-Yl]Amino]-1-Oxodocosane-2-Sulphonic Acid
[CAS# 85187-25-3]

Identification

• Name: 1-[[1-Benzyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-3-Yl]Amino]-1-Oxodocosane-2-Sulphonic Acid
• Synonyms: 1-[[1-(Benzyl)-5-Keto-4H-Pyrazol-3-Yl]Amino]-1-Keto-Docosane-2-Sulfonic Acid; 1-((1-Benzyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-3-Yl)Amino)-1-Oxodocosane-2-Sulphonic Acid
• Molecular Formula: C₃₂H₅₃N₃O₅S
• Molecular Weight: 591.85
• CAS Registry Number: 85187-25-3
• EINECS: 286-113-8
• SMILES: C1=CC=CC=C1CN2N=C(NC(=O)C([S](=O)(=O)O)CCCCCCCCCCCCCCCCCCCC)CC2=O
• InChI: 1S/C32H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-29(41(38,39)40)32(37)33-30-26-31(36)35(34-30)27-28-23-20-19-21-24-28/h19-21,23-24,29H,2-18,22,25-27H2,1H3,(H,33,34,37)(H,38,39,40)
• InChIKey: OTTPKZJATIFDTG-UHFFFAOYSA-N

Properties

• Density: 1.135g/cm³ (Cal.)