Structural Complex
Chemical ID: A1JZ3
IUPAC Name: Rhodium tetraacetate dihydrate
Formal Charge: 4
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: C1=[O+][Rh]234=[Rh]([O]1)([O]C=[O+]2)([O+]=C[O]3)[O+]=C[O]4
InChI: InChI=1S/4CH2O2.2Rh/c4*2-1-3;;/h4*1H,(H,2,3);;/q;;;;2*+4/p-4
InChI Key: BYJHSRLPXKUISD-UHFFFAOYSA-J
Physiochemical Descriptor:
Formula: C8 H14 O10 Rh2
Molecular weight: 476.002
Hydrogen Bond Acceptor: 6
Hydrogen Bond Donor: 2
Rotatable Bonds: 6
Heavy Atoms: 20
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/4C2H4O2.2H2O.2Rh/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);2*1H2;;/q;;;;;;2*+5/p-6
InChIKey InChI 1.06 NFYFJNIJPXGTTN-UHFFFAOYSA-H
SMILES_CANONICAL CACTVS 3.385 CC1=[O+][Rh]234(=[Rh](O)(O1)(OC(=[O+]2)C)([O+]=C(C)O3)[O+]=C(C)O4)O
SMILES CACTVS 3.385 CC1=[O+][Rh]234(=[Rh](O)(O1)(OC(=[O+]2)C)([O+]=C(C)O3)[O+]=C(C)O4)O
SMILES_CANONICAL OpenEye OEToolkits 2.0.7 CC1=[O+][Rh]234(=[Rh](O1)(OC(=[O+]2)C)([O+]=C(O3)C)([O+]=C(O4)C)O)O
SMILES OpenEye OEToolkits 2.0.7 CC1=[O+][Rh]234(=[Rh](O1)(OC(=[O+]2)C)([O+]=C(O3)C)([O+]=C(O4)C)O)O
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