(S,S)-[N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]manganese(III) chloride

Catalog Number	ACM135620041-2
CAS	135620-04-1
Structure
Synonyms	2,4-Ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+);trichloride
Molecular Weight	708.1
Molecular Formula	C36H54Cl3MnN2O2
Canonical SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC2CCCCC2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.[Cl-].[Cl-].[Cl-].[Mn+3]
InChI	InChI=1S/C36H54N2O2.3ClH.Mn/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;/h17-22,29-30,39-40H,13-16H2,1-12H3;3*1H;/q;+3/p-3/t29-,30-;/m0/s1
InChI Key	VGAJDQCIDNCJQC-FTKQXCDWSA-K
Melting Point	330-332 °C
Purity	98%
Appearance	Powder
Exact Mass	706.26313
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isomeric SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=N[C@H]2CCCC[C@@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O.[Cl-].[Cl-].[Cl-].[Mn+3]
Monoisotopic Mass	706.26313
Rotatable Bond Count	8
Topological Polar Surface Area	65.2 Ų