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iron(3+); 3-oxidanidyl-1,2,3-benzotriazin-4-one

iron(3+); 3-oxidanidyl-1,2,3-benzotriazin-4-one

Systemtic Name:iron(3+); 3-oxidanidyl-1,2,3-benzotriazin-4-one
Openeye Name:ferric 3-oxido-1,2,3-benzotriazin-4-one
CAS Name:iron(3+); 3-oxido-1,2,3-benzotriazin-4-one
IUPAC Name:iron(3+); 3-oxido-1,2,3-benzotriazin-4-one
Traditional Name:ferric 3-oxido-1,2,3-benzotriazin-4-one
Formula: C21H12FeN9O6
MolecularWeight: 542.22168
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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+3]


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+3]


InChI

InChI=1S/3C7H4N3O2.Fe/c3*11-7-5-3-1-2-4-6(5)8-9-10(7)12;/h3*1-4H;/q3*-1;+3


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