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Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](3-methyl-2-butenylidene) (tricyclohexylphosphine)ruthenium(II)

Catalog Number ACM253688914-2
CAS 253688-91-4
Structure Dichloro[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene](3-methyl-2-butenylidene) (tricyclohexylphosphine)ruthenium(II)
Synonyms [1,3-Bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(3-methylbut-2-enylidene)ruthenium;tricyclohexylphosphane
Molecular Weight 827
Molecular Formula C44H67Cl2N2PRu
Canonical SMILES CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CC=C(C)C)(Cl)Cl)C3=C(C=C(C=C3C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChI InChI=1S/C21H26N2.C18H33P.C5H8.2ClH.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;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-5(2)3;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1,4H,2-3H3;2*1H;/q;+2/p-2
InChI Key LCOFYVWULBZOTA-UHFFFAOYSA-L
Purity 97%
Exact Mass 826.346233
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
Monoisotopic Mass 826.346233
Rotatable Bond Count 6
Topological Polar Surface Area 6.5 Ų

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