ISDA: 7QPY

Structural Complex

Chemical ID: F5T

IUPAC Name: cis-bis(mi2-acetato-O, O')-(mi2-trifluoroacetato-O, O')-diaquo-dirhodium (II)

Formal Charge: ?

Type: non-polymer

Physiochemical Descriptor:

Formula: C6 H10 F3 O8 Rh2

Molecular weight: 472.945

Hydrogen Bond Acceptor: 6

Hydrogen Bond Donor: 0

Rotatable Bonds: 3

Heavy Atoms: 19

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	3.1.0.0	3,7-dimethyl-1,5-bis(oxidanyl)-10-(trifluoromethyl)-2,4,6,8,9,11-hexaoxa-1$l^{5},5$l^{5}-dirhodatricyclo[3.3.3.0^{1,5}]undecane

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C2HF3O2.2C2H4O2.2H2O.2Rh/c3-2(4,5)1(6)7;21-2(3)4;;;;/h(H,6,7);21H3,(H,3,4);2*1H2;;/q;;;;;+2;+3/p-3
InChIKey	InChI	1.06	GFIQPIBTJJSXBJ-UHFFFAOYSA-K
SMILES_CANONICAL	CACTVS	3.385	O.O.CC(=O)O[Rh+]OC(=O)C.FC(F)(F)C(=O)O[Rh+]
SMILES	CACTVS	3.385	O.O.CC(=O)O[Rh+]OC(=O)C.FC(F)(F)C(=O)O[Rh+]
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CC1=O[Rh+]23(O=C(O[Rh+]2(O1)(O=C(O3)C(F)(F)F)[OH2])C)[OH2]
SMILES	OpenEye OEToolkits	3.1.0.0	CC1=O[Rh+]23(O=C(O[Rh+]2(O1)(O=C(O3)C(F)(F)F)[OH2])C)[OH2]