2,6-dimethyl-1-oxidanyl-pyridin-1-ium; iron(3+)

Systemtic Name: 2,6-dimethyl-1-oxidanyl-pyridin-1-ium; iron(3+) Openeye Name: ferric 1-hydroxy-2,6-dimethyl-pyridin-1-ium CAS Name: 1-hydroxy-2,6-dimethylpyridin-1-ium; iron(3+) IUPAC Name: 1-hydroxy-2,6-dimethylpyridin-1-ium; iron(3+) Traditional Name: ferric 1-hydroxy-2,6-dimethyl-pyridin-1-ium Formula: C42H60FeN6O6+9 MolecularWeight: 800.8074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.[Fe+3]

Isomeric SMILES

CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.CC1=[N+](C(=CC=C1)C)O.[Fe+3]

InChI

InChI=1S/6C7H10NO.Fe/c6*1-6-4-3-5-7(2)8(6)9;/h6*3-5,9H,1-2H3;/q6*+1;+3