Structural Complex
Chemical ID: OEY
IUPAC Name: CA-MN4-O6 CLUSTER
Formal Charge: ?
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: Ca Mn4 O6
Molecular weight: 355.827
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.03 InChI=1S/Ca.4Mn.O2.4O/c;;;;;1-2;;;;/q;;;;+1;-1;;;;
InChIKey InChI 1.03 VXLJVOKMVCJEPF-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 O1[Mn]O[O]23[Ca]O[Mn@]2(O[Mn]1)O[Mn]3
SMILES CACTVS 3.385 O1[Mn]O[O]23[Ca]O[Mn]2(O[Mn]1)O[Mn]3
SMILES_CANONICAL OpenEye OEToolkits 2.0.6 O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3
SMILES OpenEye OEToolkits 2.0.6 O1O23[Ca]4O5[Mn]1O6[Mn]5O4[Mn]62O[Mn]3
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