(1,3-Bis(2,6-diisopropylphenyl)-4-((4-ethyl-4-methylpiperzain-1-ium-1-yl)methyl)imidazolidin-2-ylidene)(2-isopropoxybenzylidene)ruthenium(II)dichloride chloride dihydrate fixcat

Catalog Number	ACM1799947979-1
CAS	1799947-97-9
Synonyms	(1,3-Bis(2,6-diisopropylphenyl)-4-((4-ethyl-4-methylpiperzain-1-ium-1-yl)methyl)imidazolidin-2-ylidene)(2-isopropoxybenzylidene)ruthenium(II)dichloride chloride dihydrate
Molecular Weight	923.5
Molecular Formula	C45H71Cl3N4O3Ru
Canonical SMILES	CC[N+]1(CCN(CC1)CC2CN([C-]=[N+]2C3=C(C=CC=C3C(C)C)C(C)C)C4=C(C=CC=C4C(C)C)C(C)C)C.CC(C)OC1=CC=CC=C1C=[Ru](Cl)Cl.O.O.[Cl-]
InChI	InChI=1S/C35H55N4.C10H12O.3ClH.2H2O.Ru/c1-11-39(10)20-18-36(19-21-39)22-29-23-37(34-30(25(2)3)14-12-15-31(34)26(4)5)24-38(29)35-32(27(6)7)16-13-17-33(35)28(8)9;1-8(2)11-10-7-5-4-6-9(10)3;/h12-17,25-29H,11,18-23H2,1-10H3;3-8H,1-2H3;3*1H;2*1H2;/q+1;+2/p-3
InChI Key	YSJKIRYJEOTTTL-UHFFFAOYSA-K
Purity	98%
Appearance	Green powder
Complexity	1120
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
Exact Mass	922.363516
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	922.363516
Rotatable Bond Count	12
Topological Polar Surface Area	20.7 Ų