(1R,2R)-(-)-[1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)]chromium(III) chloride

Catalog Number	ACM164931833-1
CAS	164931-83-3
Structure
Synonyms	2,4-Ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium
IUPAC Name	2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;trichlorochromium;
Molecular Weight	705.2
Molecular Formula	C36H54Cl3CrN2O2
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[Cr](Cl)Cl
InChI	InChI=1S/C36H54N2O2.3ClH.Cr/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-;/m1/s1
InChI Key	ABSDVGHEFTVUQG-ZYOJYBKFSA-K
Melting Point	>350 °C
Purity	98%
Appearance	Powder
Complexity	801
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Exact Mass	703.265592
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	4
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[Cr](Cl)Cl
Monoisotopic Mass	703.265592
Rotatable Bond Count	8
Topological Polar Surface Area	65.2 Ų