ethanoic acid; iron; 4-methylpyridine; hydrate

Systemtic Name: ethanoic acid; iron; 4-methylpyridine; hydrate Openeye Name: acetic acid; iron; 4-methylpyridine; hydrate CAS Name: acetic acid; iron; 4-methylpyridine; hydrate IUPAC Name: acetic acid; iron; 4-methylpyridine; hydrate Traditional Name: acetic acid; $g-picoline; iron; hydrate Formula: C30H47Fe3N3O13 MolecularWeight: 825.24148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NC=C1.CC1=CC=NC=C1.CC1=CC=NC=C1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.[Fe].[Fe].[Fe]

Isomeric SMILES

CC1=CC=NC=C1.CC1=CC=NC=C1.CC1=CC=NC=C1.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.[Fe].[Fe].[Fe]

InChI

InChI=1S/3C6H7N.6C2H4O2.3Fe.H2O/c3*1-6-2-4-7-5-3-6;6*1-2(3)4;;;;/h3*2-5H,1H3;6*1H3,(H,3,4);;;;1H2