ISDA: 5MVB

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: AUZ

IUPAC Name: bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii)

Formal Charge: ?

Type: NON-POLYMER

Substructure

Substruture Type: MurckoScaffold

SMILES: c1cc[n]2->[Au](<-[O-2]->[Au]3<-[n]4ccccc4-c4cccc[n]->34)<-[n]3ccccc3-c2c1

InChI: ?

InChI Key: ?

Physiochemical Descriptor:

Formula: C24 H24 Au2 N4 O2

Molecular weight: 794.406

Hydrogen Bond Acceptor: 4

Hydrogen Bond Donor: 0

Rotatable Bonds: 6

Heavy Atoms: 32

Systematic name

Program	Version	Descriptor

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/2C12H12N2.2Au.2O/c21-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12;;;;/h23-8H,1-2H3;;;;/q;;2*+2;;
InChIKey	InChI	1.03	GICNHPJNXLRXOX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc2c3cccc(C)[n+]3[Au]4(O[Au]5(O4)[n+]6c(C)cccc6c7cccc(C)[n+]57)[n+]12
SMILES	CACTVS	3.385	Cc1cccc2c3cccc(C)[n+]3[Au]4(O[Au]5(O4)[n+]6c(C)cccc6c7cccc(C)[n+]57)[n+]12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C
SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc-2[n+]1[Au]3([n+]4c2cccc4C)O[Au]5(O3)[n+]6c(cccc6-c7[n+]5c(ccc7)C)C