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135620-04-1 | (S,S);-[N,N'-Bis(3,5-di-tert-butylsalicylidene);-1,2-cyclohexanediamine]manganese(III); chloride
CAS No: 135620-04-1 Catalog No: AG003COV MDL No:MFCD02101663
Product Description
Catalog Number:
AG003COV
Chemical Name:
(S,S);-[N,N'-Bis(3,5-di-tert-butylsalicylidene);-1,2-cyclohexanediamine]manganese(III); chloride
CAS Number:
135620-04-1
Molecular Formula:
C36H54Cl3MnN2O2
Molecular Weight:
708.1232
MDL Number:
MFCD02101663
IUPAC Name:
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+);trichloride
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
SMILES:
Oc1c(/C=N/[C@H]2CCCC[C@@H]2/N=C/c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)cc(cc1C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Cl-].[Mn+3]
EC Number:
603-926-9
Properties
Complexity:
793
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
706.263g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
708.128g/mol
Monoisotopic Mass:
706.263g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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