iron; 3-oxidanyl-1,2,3-benzotriazin-4-one

Systemtic Name: iron; 3-oxidanyl-1,2,3-benzotriazin-4-one Openeye Name: 3-hydroxy-1,2,3-benzotriazin-4-one; iron CAS Name: 3-hydroxy-1,2,3-benzotriazin-4-one; iron IUPAC Name: 3-hydroxy-1,2,3-benzotriazin-4-one; iron Traditional Name: 3-hydroxy-1,2,3-benzotriazin-4-one; iron Formula: C21H15FeN9O6 MolecularWeight: 545.2455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)O.C1=CC=C2C(=C1)C(=O)N(N=N2)O.C1=CC=C2C(=C1)C(=O)N(N=N2)O.[Fe]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)O.C1=CC=C2C(=C1)C(=O)N(N=N2)O.C1=CC=C2C(=C1)C(=O)N(N=N2)O.[Fe]

InChI

InChI=1S/3C7H5N3O2.Fe/c3*11-7-5-3-1-2-4-6(5)8-9-10(7)12;/h3*1-4,12H;