ISDA: 5OB6

Structural Complex

Chemical ID: 9Q8

IUPAC Name: tris($l^{3}-oxidanyl)-tris(oxidaniumylidynemethyl)ruthenium

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: C3 H6 O6 Ru

Molecular weight: 239.146

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 10

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	triaquatris(carbonyl-kappaC)ruthenium(3+)
OpenEye OEToolkits	3.1.0.0	tris($l^{3}-oxidanyl)-tris(oxidaniumylidynemethyl)ruthenium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	[O+]#C[Ru]([OH2])([OH2])([OH2])(C#[O+])C#[O+]
InChI	InChI	1.06	InChI=1S/3CO.3H2O.Ru/c31-2;;;;/h;;;31H2;/q3*+1;;;;
InChIKey	InChI	1.06	UHCBCCBXGQEMOY-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O.O.O.[O+]#C[Ru](C#[O+])C#[O+]
SMILES	CACTVS	3.385	O.O.O.[O+]#C[Ru](C#[O+])C#[O+]
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C(#[O+])[Ru](C#[O+])(C#[O+])([OH2])([OH2])[OH2]
SMILES	OpenEye OEToolkits	3.1.0.0	C(#[O+])[Ru](C#[O+])(C#[O+])([OH2])([OH2])[OH2]