[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]-[2-[[(2-methylphenyl)imino] methyl]phenolyl]-[3-phenyl-1H-inden-1-ylidene]ruthenium(II) chloride

Catalog Number	ACM934538122-1
CAS	934538-12-2
Structure
Synonyms	[1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-(3-phenylinden-1-ylidene)ruthenium;6-[(2-methylanilino)methylidene]cyclohexa-2,4-dien-1-one;chloride
IUPAC Name	[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-(3-phenylinden-1-ylidene)ruthenium;(6Z)-6-[(2-methylanilino)methylidene]cyclohexa-2,4-dien-1-one;chloride;
Molecular Weight	843.5
Molecular Formula	C50H48ClN3ORu
Canonical SMILES	CC1=CC=CC=C1NC=C2[C-]=CC=CC2=O.CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru]=C3C=C(C4=CC=CC=C43)C5=CC=CC=C5)C6=C(C=C(C=C6C)C)C)C.[Cl-]
InChI	InChI=1S/C21H26N2.C15H10.C14H12NO.ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;1-11-6-2-4-8-13(11)15-10-12-7-3-5-9-14(12)16;/h9-12H,7-8H2,1-6H3;1-9,11H;2-6,8-10,15H,1H3;1H;/q;-1;/p-1
InChI Key	YDFNHYNMJWHGME-UHFFFAOYSA-M
Purity	98%
Appearance	Solid
Application	Highly active catalyst for ring opening and ring closing metathesis reactions.
Complexity	1460
Covalently-Bonded Unit Count	3
Exact Mass	843.252931
Formal Charge	-2
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Monoisotopic Mass	843.252931
Rotatable Bond Count	5
Topological Polar Surface Area	35.6 Ų