Synonyms
RuCl[(S,S)-TsDPEN](mesitylene);174813-81-1;CTK8E7375;KS-000018VY;RT-015463;J-011043;Ruthenium, [N-[(1S,2S)-2-(amino-kappaN)-1,2-diphenylethyl]-4-methylbenzenesulfonamidato-kappaN]chloro[(1,2,3,4,5,6-eta)-1,3,5-trimethylbenzene]-;
IUPAC Name
[(1S,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;chlororuthenium(1+);1,3,5-trimethylbenzene;
Molecular Weight
622.186g/mol
Molecular Formula
C30H33ClN2O2RuS;
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)N.CC1=CC(=CC(=C1)C)C.Cl[Ru+];
InChI
InChI=1S/C21H21N2O2S.C9H12.ClH.Ru/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;1-7-4-8(2)6-9(3)5-7;;/h2-15,20-21H,22H2,1H3;4-6H,1-3H3;1H;/q-1;;;+2/p-1/t20-,21-;;;/m0.../s1;
InChI Key
XBNBOGZUDCYNOJ-XCPIVNJJSA-M;
Covalently-Bonded Unit Count
3
Defined Atom Stereocenter Count
2
Monoisotopic Mass
622.099g/mol
Topological Polar Surface Area
69.5A^2