Sodium 6-Acetamidohexanoate
[CAS# 7234-48-2]

Identification

• Name: Sodium 6-Acetamidohexanoate
• Synonyms: Trinickelous; Dihydroxy-Oxo-Ammonium; 2-[[2-[(2-Hydroxy-3,5-Dimethyl-Phenyl)Methyl-Methyl-Amino]Ethyl-Methyl-Amino]Methyl]-4,6-Dimethyl-Phenol; Nickel; Hexahydrate; Trinickelous
• Molecular Formula: C₆₆H₁₁₂N₈Ni₆O₁₈
• Molecular Weight: 1657.81
• CAS Registry Number: 7234-48-2
• EINECS: 230-635-0
• SMILES: [Ni]|6|%13|%14|%17|%25|O|%21|[Ni]|%18|%26(|O|3C1=C(C=C(C=C1CN|4(CCN|5(CC2=CC(=CC(=C2O|7|[Ni++]|3|4|5(|O|6|[Ni]|%15|%16|7(|O|%10C8=C(C=C(C=C8CN|%11(CCN|%12(CC9=CC(=CC(=C9O|[Ni++]|%10|%11|%12(|O|%13)|O|%14|%15)C)C)C)C)C)C)|O[N+](O|%16)=O)|O|%17|%18)C)C)C)C)C)C)(|O|%22C%19=C(C=C(C=C%19CN|%23(CCN|%24(CC%20=CC(=CC(=C%20O|[Ni++]|%21|%22|%23|%24|O|%25)C)C)C)C)C)C)|O[N+](O|%26)=O
• InChI: 1S/3C22H32N2O2.2H2NO3.6Ni.6H2O/c3*1-15-9-17(3)21(25)19(11-15)13-23(5)7-8-24(6)14-20-12-16(2)10-18(4)22(20)26;2*2-1(3)4;;;;;;;;;;;;/h3*9-12,25-26H,7-8,13-14H2,1-6H3;2*(H2,2,3,4);;;;;;;6*1H2/q;;;2*+1;;;;3*+2
• InChIKey: AEWPUUCKYVQPJT-UHFFFAOYSA-N