ISDA: 7QHR

Structural Complex

Chemical ID: D5A

IUPAC Name: trans-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II)

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: C5 H16 N2 O7 Rh2

Molecular weight: 422.001

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 0

Rotatable Bonds: 2

Heavy Atoms: 16

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	1-[2,2,3,3,3-pentakis($l^{3}-oxidanyl)-5-methyl-1,4$l^{3}-dioxa-2$l^{5},3$l^{5}-dirhodacyclopent-4-en-2-yl]imidazole

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C3H3N2.C2H4O2.5H2O.2Rh/c1-2-5-3-4-1;1-2(3)4;;;;;;;/h1-3H;1H3,(H,3,4);5*1H2;;/q-1;;;;;;;;+2/p-1
InChIKey	InChI	1.06	VCXSDLSFVDPGNC-UHFFFAOYSA-M
SMILES_CANONICAL	CACTVS	3.385	O.O.O.O.O.[Rh].CC(=O)O[Rh]n1ccnc1
SMILES	CACTVS	3.385	O.O.O.O.O.[Rh].CC(=O)O[Rh]n1ccnc1
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC1=O[Rh]([Rh](O1)(n2ccnc2)([OH2])[OH2])([OH2])([OH2])[OH2]
SMILES	OpenEye OEToolkits	3.1.0.0	CC1=O[Rh]([Rh](O1)(n2ccnc2)([OH2])[OH2])([OH2])([OH2])[OH2]