(1S,2S)-(+)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)cobalt(III) p-toluenesulfonate

Catalog Number	ACM672306068-1
CAS	672306-06-8
Structure
Synonyms	Cobalt(3+);2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate;4-methylbenzenesulfonate
Molecular Weight	774.9
Molecular Formula	C43H59CoN2O5S
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].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-].[Co+3]
InChI	InChI=1S/C36H54N2O2.C7H8O3S.Co/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;1-6-2-4-7(5-3-6)11(8,9)10;/h17-22,29-30,39-40H,13-16H2,1-12H3;2-5H,1H3,(H,8,9,10);/q;+3/p-3/t29-,30-;/m0/s1
InChI Key	VPVIMRWIBFMDDY-ARDORAJISA-K
Purity	97%
Appearance	Solid
Exact Mass	774.347663
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)[O-].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-].[Co+3]
Monoisotopic Mass	774.347663
Rotatable Bond Count	6
Topological Polar Surface Area	136 Ų