(T-4)-[[2,2'-[(1S,2S)-1,2-Cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]zinc

Catalog Number	ACM556053317
CAS	556053-31-7
Synonyms	Zinc;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]cyclohexyl]iminomethyl]phenolate
Molecular Weight	610.22
Molecular Formula	C36H52N2O2Zn
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-].[Zn+2]
InChI	InChI=1S/C36H54N2O2.Zn/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;/q;+2/p-2/t29-,30-;/m0./s1
InChI Key	KMUJCMSUODEDEM-PNHSAAKESA-L
Purity	95%
Complexity	800
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	608.332021
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
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-].[Zn+2]
Monoisotopic Mass	608.332021
Rotatable Bond Count	4
Topological Polar Surface Area	70.8 Ų