Synonyms
MFCD17018826;1192483-26-3;
IUPAC Name
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);tetrafluoroborate;
Molecular Weight
686.559g/mol
Molecular Formula
C31H34BF4N2O2RuS;
Canonical SMILES
[B-](F)(F)(F)F.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-]C(C2=CC=CC=C2)C(C3=CC=CC=C3)[NH-].[Ru+3];
InChI
InChI=1S/C21H20N2O2S.C10H14.BF4.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;1-8(2)10-6-4-9(3)5-7-10;2-1(3,4)5;/h2-15,20-22H,1H3;4-8H,1-3H3;;/q-2;;-1;+3/t20-,21-;;;/m1.../s1;
InChI Key
ODZGGEYOVSFFKF-AGEKDOICSA-N;
Complexity
622
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
2
Exact Mass
687.141g/mol
H-Bond Acceptor
9
H-Bond Donor
1
Heavy Atom Count
42
Monoisotopic Mass
687.141g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
44.5A^2
