iron(3+); 2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolate

Systemtic Name: iron(3+); 2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolate Openeye Name: ferric 2-methoxy-6-(p-tolyliminomethyl)phenolate CAS Name: iron(3+); 2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolate IUPAC Name: iron(3+); 2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolate Traditional Name: ferric 2-methoxy-6-(p-tolyliminomethyl)phenolate Formula: C45H42FeN3O6 MolecularWeight: 776.67648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)[O-].CC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)[O-].CC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)[O-].[Fe+3]

Isomeric SMILES

CC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)[O-].CC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)[O-].CC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)OC)[O-].[Fe+3]

InChI

InChI=1S/3C15H15NO2.Fe/c3*1-11-6-8-13(9-7-11)16-10-12-4-3-5-14(18-2)15(12)17;/h3*3-10,17H,1-2H3;/q;;;+3/p-3