2,2-di(pyrazol-1-yl)ethanoic acid; iron

Systemtic Name: 2,2-di(pyrazol-1-yl)ethanoic acid; iron Openeye Name: 2,2-di(pyrazol-1-yl)acetic acid; iron CAS Name: 2,2-bis(1-pyrazolyl)acetic acid; iron IUPAC Name: 2,2-di(pyrazol-1-yl)acetic acid; iron Traditional Name: 2,2-di(pyrazol-1-yl)acetic acid; iron Formula: C16H16FeN8O4 MolecularWeight: 440.19444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C(C(=O)O)N2C=CC=N2.C1=CN(N=C1)C(C(=O)O)N2C=CC=N2.[Fe]

Isomeric SMILES

C1=CN(N=C1)C(C(=O)O)N2C=CC=N2.C1=CN(N=C1)C(C(=O)O)N2C=CC=N2.[Fe]

InChI

InChI=1S/2C8H8N4O2.Fe/c2*13-8(14)7(11-5-1-3-9-11)12-6-2-4-10-12;/h2*1-7H,(H,13,14);