ISDA: 4NHS

Structural Complex

Chemical ID: 2T8

IUPAC Name: tetrakis(chloranyl)-$l^{3}-oxidanyl-(oxidaniumylidynemethyl)iridium

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: C H2 Cl4 Ir O2

Molecular weight: 380.054

Hydrogen Bond Acceptor: 0

Hydrogen Bond Donor: 0

Rotatable Bonds: 0

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	aqua(carbonyl-kappaC)tetrachloridoiridium(1+)
OpenEye OEToolkits	3.1.0.0	tetrakis(chloranyl)-$l^{3}-oxidanyl-(oxidaniumylidynemethyl)iridium

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	[O+]#C[Ir](Cl)(Cl)(Cl)(Cl)[OH2]
InChI	InChI	1.06	InChI=1S/CO.4ClH.Ir.H2O/c1-2;;;;;;/h;4*1H;;1H2/q+1;;;;;+4;/p-4
InChIKey	InChI	1.06	DKMTXLQEABVYGV-UHFFFAOYSA-J
SMILES_CANONICAL	CACTVS	3.385	O.Cl[Ir](Cl)(Cl)(Cl)C#[O+]
SMILES	CACTVS	3.385	O.Cl[Ir](Cl)(Cl)(Cl)C#[O+]
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	C(#[O+])[Ir]([OH2])(Cl)(Cl)(Cl)Cl
SMILES	OpenEye OEToolkits	3.1.0.0	C(#[O+])[Ir]([OH2])(Cl)(Cl)(Cl)Cl