Structural Complex
Chemical ID: D1O
IUPAC Name: tri-(mi2-acetato-(O, O')-diaqua-dirhodium(II, II)
Formal Charge: ?
Type: non-polymer
Physiochemical Descriptor:
Formula: C6 H13 O8 Rh2
Molecular weight: 418.974
Hydrogen Bond Acceptor: 6
Hydrogen Bond Donor: 0
Rotatable Bonds: 4
Heavy Atoms: 16
Systematic name
Program Version Descriptor
OpenEye OEToolkits 3.1.0.0 1,5-bis($l^{3}-oxidanyl)-3,7,10-trimethyl-2$l^{3},4,6$l^{3},8,9$l^{3},11-hexaoxa-1$l^{5},5$l^{5}-dirhodatricyclo[3.3.3.0^{1,5}]undeca-2,6,9-triene
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/3C2H4O2.2H2O.2Rh/c3*1-2(3)4;;;;/h3*1H3,(H,3,4);2*1H2;;/q;;;;;+1;+2/p-3
InChIKey InChI 1.06 MEVUCGFQYLVWDE-UHFFFAOYSA-K
SMILES_CANONICAL CACTVS 3.385 O.O.CC(=O)O[Rh].CC(=O)O[Rh]OC(=O)C
SMILES CACTVS 3.385 O.O.CC(=O)O[Rh].CC(=O)O[Rh]OC(=O)C
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 CC1=O[Rh]23(O=C(O[Rh]2(O1)(O=C(O3)C)[OH2])C)[OH2]
SMILES OpenEye OEToolkits 3.1.0.0 CC1=O[Rh]23(O=C(O[Rh]2(O1)(O=C(O3)C)[OH2])C)[OH2]
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