5-(3-Heptadecyl-4-Isopropyl-5-Oxo-4,5-Dihydro-1H-Pyrazol-1-Yl)-2-Phenoxybenzenesulfonic Acid
[CAS# 115345-38-5]

Identification

• Name: 5-(3-Heptadecyl-4-Isopropyl-5-Oxo-4,5-Dihydro-1H-Pyrazol-1-Yl)-2-Phenoxybenzenesulfonic Acid
• Molecular Formula: C₃₅H₅₂N₂O₅S
• Molecular Weight: 612.86
• CAS Registry Number: 115345-38-5
• SMILES: O=S(=O)(O)c2c(Oc1ccccc1)ccc(c2)N3/N=C(\C(C3=O)C(C)C)CCCCCCCCCCCCCCCCC
• InChI: 1S/C35H52N2O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-34(28(2)3)35(38)37(36-31)29-25-26-32(33(27-29)43(39,40)41)42-30-22-19-18-20-23-30/h18-20,22-23,25-28,34H,4-17,21,24H2,1-3H3,(H,39,40,41)
• InChIKey: APZVAVHTQKZAOL-UHFFFAOYSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Refractive index: 1.559 (Cal.)