ISDA: 2EF2

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: RHX

IUPAC Name: [2,6-BIS(4-PHENYL)-1,3-OXAZOLIN-2-YL]RHODIUM(III)

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1ccc([C@H]2COC3c4cccc5C6=[N](->[Rh@SP3](<-[c-]45)<-[N]=32)[C@@H](c2ccccc2)CO6)cc1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C24 H19 N2 O2 Rh

Molecular weight: 470.325

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 0

Rotatable Bonds: 4

Heavy Atoms: 29

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H19N2O2.Rh/c1-3-8-17(9-4-1)21-15-27-23(25-21)19-12-7-13-20(14-19)24-26-22(16-28-24)18-10-5-2-6-11-18;/h1-13,21-22H,15-16H2;/t21-,22-;/m1./s1
InChIKey	InChI	1.06	FCXWDODCDHPSDA-HLUKFBSCSA-N
SMILES_CANONICAL	CACTVS	3.385	[Rh]c1c(cccc1C2=N[C@H](CO2)c3ccccc3)C4=N[C@H](CO4)c5ccccc5
SMILES	CACTVS	3.385	[Rh]c1c(cccc1C2=N[CH](CO2)c3ccccc3)C4=N[CH](CO4)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@H]2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4[C@H](CO6)c7ccccc7
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C2COC3=[N]2[Rh]4c5c3cccc5C6=[N]4C(CO6)c7ccccc7