Structural Complex
Chemical ID: CUN
IUPAC Name: CU(I)-S-MO(IV)(=O)OH CLUSTER
Formal Charge: ?
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: Cu H Mo O2 S
Molecular weight: 224.558
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 0
Rotatable Bonds: 1
Heavy Atoms: 5
Systematic name
Program Version Descriptor
ACDLabs 12.01 hydroxy(oxo)mu-sulfidemolybdenumcopper(5+)
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 12.01 [Cu+]S[Mo+4](=O)O
InChI InChI 1.03 InChI=1S/Cu.Mo.H2O.O.S/h;;1H2;;/q+1;+5;;;/p-1
InChIKey InChI 1.03 GIYZUGIRDQLYSY-UHFFFAOYSA-M
SMILES_CANONICAL CACTVS 3.370 O[Mo+4](=O)S[Cu+]
SMILES CACTVS 3.370 O[Mo+4](=O)S[Cu+]
SMILES_CANONICAL OpenEye OEToolkits 1.7.2 O[Mo+4](=O)S[Cu+]
SMILES OpenEye OEToolkits 1.7.2 O[Mo+4](=O)S[Cu+]
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