Structural Complex
Chemical ID: OEX
IUPAC Name: CA-MN4-O5 CLUSTER
Formal Charge: ?
Type: NON-POLYMER
Physiochemical Descriptor:
Formula: Ca Mn4 O5
Molecular weight: 339.827
Hydrogen Bond Acceptor:
Hydrogen Bond Donor:
Rotatable Bonds:
Heavy Atoms:
Systematic name
Program Version Descriptor
OpenEye OEToolkits 3.1.0.0 2$l^{3},4$l^{3},6$l^{3},8$l^{3},10-pentaoxa-1$l^{4},3$l^{2},5$l^{3},9$l^{2}-tetramangana-7$l^{3}-calcapentacyclo[4.4.0.0^{1,8}.0^{2,5}.0^{4,7}]decane
Chemical Descriptors
Type Program Version Descriptor
InChI InChI 1.06 InChI=1S/Ca.4Mn.5O
InChIKey InChI 1.06 SEXWDHMBWJEXOJ-UHFFFAOYSA-N
SMILES_CANONICAL CACTVS 3.385 [Ca]O[Mn]1O[Mn]O1.O2[Mn]O[Mn]2
SMILES CACTVS 3.385 [Ca]O[Mn]1O[Mn]O1.O2[Mn]O[Mn]2
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 O1[Mn]O2[Mn]13O4[Ca]2O5[Mn]4O3[Mn]5
SMILES OpenEye OEToolkits 3.1.0.0 O1[Mn]O2[Mn]13O4[Ca]2O5[Mn]4O3[Mn]5
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