[(1R,2R)-2-Azanidyl-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(3+);tetrafluoroborate

Catalog Number	ACM1192483263-1
CAS	1192483-26-3
Structure
Molecular Weight	686.6
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
Purity	97%
Appearance	Solid
Exact Mass	687.141358
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isomeric SMILES	[B-](F)(F)(F)F.CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[N-][C@H](C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)[NH-].[Ru+3]
Monoisotopic Mass	687.141358
Rotatable Bond Count	5
Topological Polar Surface Area	44.5 Ų