1-(3-Sulfo-4-Phenoxy)-Phenyl-3-Heptadecyl-Pyrazoline-5-One
[CAS# 4971-48-6]

Identification

• Name: 1-(3-Sulfo-4-Phenoxy)-Phenyl-3-Heptadecyl-Pyrazoline-5-One
• Synonyms: 5-(3-Heptadecyl-5-Keto-4H-Pyrazol-1-Yl)-2-(Phenoxy)Benzenesulfonic Acid; 5-(3-Heptadecyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-1-Yl)-2-Phenoxybenzenesulphonic Acid
• Molecular Formula: C₃₂H₄₆N₂O₅S
• Molecular Weight: 570.79
• CAS Registry Number: 4971-48-6
• EINECS: 225-616-9
• SMILES: C2=C(N1N=C(CCCCCCCCCCCCCCCCC)CC1=O)C=CC(=C2[S](O)(=O)=O)OC3=CC=CC=C3
• InChI: 1S/C32H46N2O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-27-25-32(35)34(33-27)28-23-24-30(31(26-28)40(36,37)38)39-29-21-18-16-19-22-29/h16,18-19,21-24,26H,2-15,17,20,25H2,1H3,(H,36,37,38)
• InChIKey: NUVIBPSQTHIMKV-UHFFFAOYSA-N

Properties

• Density: 1.148g/cm³ (Cal.)