Chloronitrosyl[N,N'-bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediaminato]ruthenium(IV)

Catalog Number	ACM386761713-1
CAS	386761-71-3
Structure
Synonyms	Chlororuthenium(1+);2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenol;nitroxyl anion
IUPAC Name	2,4-ditert-butyl-6-[[3-[(3,5-ditert-butyl-2-oxidophenyl)methylideneamino]-2,3-dimethylbutan-2-yl]iminomethyl]phenolate;nitroxyl anion;ruthenium(4+);chloride;
Molecular Weight	715.4
Molecular Formula	C36H56ClN3O3Ru
Canonical SMILES	CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NC(C)(C)C(C)(C)N=CC2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O.[N-]=O.Cl[Ru+]
InChI	InChI=1S/C36H56N2O2.ClH.NO.Ru/c1-31(2,3)25-17-23(29(39)27(19-25)33(7,8)9)21-37-35(13,14)36(15,16)38-22-24-18-26(32(4,5)6)20-28(30(24)40)34(10,11)12;1-2;/h17-22,39-40H,1-16H3;1H;/q;-1;+2/p-1
InChI Key	JLSGLGOKJIQCOY-UHFFFAOYSA-M
Storage	Refrigerator
Complexity	816
Covalently-Bonded Unit Count	4
Exact Mass	715.305361
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	715.305361
Rotatable Bond Count	9
Topological Polar Surface Area	83.2 Ų