iron(3+); 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate

Systemtic Name: iron(3+); 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate Openeye Name: ferric 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate CAS Name: iron(3+); 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate IUPAC Name: iron(3+); 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate Traditional Name: ferric 2-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate Formula: C45H27FeN6O9 MolecularWeight: 851.57568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C(=O)[O-].C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C(=O)[O-].C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C(=O)[O-].[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C(=O)[O-].C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C(=O)[O-].C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=CC=C3C(=O)[O-].[Fe+3]

InChI

InChI=1S/3C15H10N2O3.Fe/c3*18-15(19)12-9-5-4-8-11(12)14-17-16-13(20-14)10-6-2-1-3-7-10;/h3*1-9H,(H,18,19);/q;;;+3/p-3