Synonyms
1621182-04-4;Chloro[(1,2,3,4,5,6-eta)-2,2'',4,4'',6,6''-hexamethyl[1,1':3',1''-terphenyl]-2'-thiolato-kappaS][triisopropylphosphine-kappaP]ruthenium(II);
IUPAC Name
2,6-bis(2,4,6-trimethylphenyl)benzenethiolate;chlororuthenium(1+);tri(propan-2-yl)phosphane;
Molecular Weight
642.285g/mol
Molecular Formula
C33H46ClPRuS;
Canonical SMILES
CC1=CC(=C(C(=C1)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3C)C)C)[S-])C.CC(C)P(C(C)C)C(C)C.Cl[Ru+];
InChI
InChI=1S/C24H26S.C9H21P.ClH.Ru/c1-14-10-16(3)22(17(4)11-14)20-8-7-9-21(24(20)25)23-18(5)12-15(2)13-19(23)6;1-7(2)10(8(3)4)9(5)6;;/h7-13,25H,1-6H3;7-9H,1-6H3;1H;/q;;;+2/p-2;
InChI Key
OLQLCTCWEPROKL-UHFFFAOYSA-L;
Complexity
448
Covalently-Bonded Unit Count
3
Exact Mass
642.179g/mol
H-Bond Acceptor
1
Heavy Atom Count
37
Monoisotopic Mass
642.179g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
1A^2
