1-[(2,3-Dihydro-3-Oxo-1H-Indazol-6-Yl)Amino]-1-Oxohexadecane-2-Sulphonic Acid
[CAS# 94087-61-3]

Identification

• Name: 1-[(2,3-Dihydro-3-Oxo-1H-Indazol-6-Yl)Amino]-1-Oxohexadecane-2-Sulphonic Acid
• Synonyms: 1-Keto-1-[(3-Ketoindazolin-6-Yl)Amino]Hexadecane-2-Sulfonic Acid; 1-((2,3-Dihydro-3-Oxo-1H-Indazol-6-Yl)Amino)-1-Oxohexadecane-2-Sulphonic Acid
• Molecular Formula: C₂₃H₃₇N₃O₅S
• Molecular Weight: 467.62
• CAS Registry Number: 94087-61-3
• EINECS: 301-953-8
• SMILES: C1=C(NC(=O)C([S](=O)(=O)O)CCCCCCCCCCCCCC)C=CC2=C1NNC2=O
• InChI: 1S/C23H37N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(32(29,30)31)23(28)24-18-15-16-19-20(17-18)25-26-22(19)27/h15-17,21H,2-14H2,1H3,(H,24,28)(H2,25,26,27)(H,29,30,31)
• InChIKey: KXLNPBBGUOLIEI-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)