16-Acetylgitoxin
[CAS# 7242-07-1]

Identification

• Name: 16-Acetylgitoxin
• Synonyms: Copper; 2-(4-Chloro-2-Methyl-Cyclohexoxy)Acetic Acid; 2-(4-Chloro-2-Methyl-Phenoxy)Acetic Acid; Piperidin-1-Ide; 2H-Pyridin-1-Ide; Hydrate
• Molecular Formula: C₂₈H₄₂Cl₂CuN₂O₇
• Molecular Weight: 653.10
• CAS Registry Number: 7242-07-1
• EINECS: 230-646-0
• SMILES: [Cu++](|[N-]1CCCCC1)(|[N-]2CC=CC=C2)(|OC(=O)COC3C(CC(Cl)CC3)C)(|OC(=O)COC4=C(C=C(Cl)C=C4)C)|O
• InChI: 1S/C9H15ClO3.C9H9ClO3.C5H10N.C5H6N.Cu.H2O/c2*1-6-4-7(10)2-3-8(6)13-5-9(11)12;2*1-2-4-6-5-3-1;;/h6-8H,2-5H2,1H3,(H,11,12);2-4H,5H2,1H3,(H,11,12);1-5H2;1-4H,5H2;;1H2/q;;2*-1;+2
• InChIKey: HUPZMXIHWLQRMA-UHFFFAOYSA-N