Cupric oxonium 4-[[4,8,11-tris(4-cyanobenzyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzonitrile
[CAS# 7224-84-2]

Identification

• Name: Cupric oxonium 4-[[4,8,11-tris(4-cyanobenzyl)-1,4,8,11-tetrazacyclotetradec-1-yl]methyl]benzonitrile
• Synonyms: Copper Oxonium 4-[[4,8,11-Tris[(4-Cyanophenyl)Methyl]-1,4,8,11-Tetrazacyclotetradec-1-Yl]Methyl]Benzonitrile; Cupric Oxonium 4-[[4,8,11-Tris(4-Cyanobenzyl)-1,4,8,11-Tetrazacyclotetradec-1-Yl]Methyl]Benzonitrile
• Molecular Formula: C₄₂H₄₇CuN₈O
• Molecular Weight: 743.43
• CAS Registry Number: 7224-84-2
• SMILES: [Cu++]|1|2|3(|[OH3+])|N4(CCN|1(CCCN|2(CCN|3(CCC4)CC5=CC=C(C=C5)C#N)CC6=CC=C(C=C6)C#N)CC7=CC=C(C=C7)C#N)CC8=CC=C(C=C8)C#N
• InChI: 1S/C42H44N8.Cu.H2O/c43-27-35-3-11-39(12-4-35)31-47-19-1-20-48(32-40-13-5-36(28-44)6-14-40)24-26-50(34-42-17-9-38(30-46)10-18-42)22-2-21-49(25-23-47)33-41-15-7-37(29-45)8-16-41;;/h3-18H,1-2,19-26,31-34H2;;1H2/q;+2;/p+1
• InChIKey: PAXWLDSSXOBNFR-UHFFFAOYSA-O