4-[(3-Heptadecyl-4,5-Dihydro-5-Oxo-1H-Pyrazol)-1-Yl]-3-Methylbenzenesulfonic Acid
[CAS# 63217-34-5]

Identification

• Name: 4-[(3-Heptadecyl-4,5-Dihydro-5-Oxo-1H-Pyrazol)-1-Yl]-3-Methylbenzenesulfonic Acid
• Synonyms: 4-(3-Heptadecyl-5-Oxo-4H-Pyrazol-1-Yl)-3-Methyl-Benzenesulfonic Acid; 4-(3-Heptadecyl-5-Keto-4H-Pyrazol-1-Yl)-3-Methyl-Benzenesulfonic Acid; Benzenesulfonic Acid, 3-Methyl-4-(3-Heptadecyl-4,5-Dihydro-5-Oxo-1H-Pyrazol-1-Yl)-
• Molecular Formula: C₂₇H₄₄N₂O₄S
• Molecular Weight: 492.72
• CAS Registry Number: 63217-34-5
• SMILES: C1=C(C)C(=CC=C1[S](=O)(=O)O)N2N=C(CCCCCCCCCCCCCCCCC)CC2=O
• InChI: 1S/C27H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-22-27(30)29(28-24)26-20-19-25(21-23(26)2)34(31,32)33/h19-21H,3-18,22H2,1-2H3,(H,31,32,33)
• InChIKey: IJPINFRYORWJOE-UHFFFAOYSA-N

Properties

• Density: 1.124g/cm³ (Cal.)