Synonyms
[1,3-Bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro[(phenylthio)methylene](tricyclohexylphosphine)ruthenium
IUPAC Name
[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichloro-(phenylsulfanylmethylidene)ruthenium;tricyclohexylphosphane;
Molecular Weight
881.04
Molecular Formula
C46H65Cl2N2PRuS
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2CCN(C2=[Ru](=CSC3=CC=CC=C3)(Cl)Cl)C4=C(C=C(C=C4C)C)C)C.C1CCC(CC1)P(C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C21H26N2.C18H33P.C7H6S.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;1-8-7-5-3-2-4-6-7;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;+2/p-2
InChI Key
GZISWHUECPWWTK-UHFFFAOYSA-L
Appearance
Purple brown solid
Complexity
949
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
Exact Mass
880.302654
H-Bond Acceptor
3
Heavy Atom Count
53
Monoisotopic Mass
880.302654
Rotatable Bond Count
7
Topological Polar Surface Area
31.8 Ų
