iron(3+); (3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-phenyl-methanolate; (Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-phenyl-methanolate

Systemtic Name: iron(3+); (3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-phenyl-methanolate; (Z)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)-phenyl-methanolate Openeye Name: ferric; (3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-phenyl-methanolate; (Z)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)-phenyl-methanolate CAS Name: iron(3+); (3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-phenylmethanolate; (Z)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)-phenylmethanolate IUPAC Name: iron(3+); (3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-phenylmethanolate; (Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-phenylmethanolate Traditional Name: ferric; (5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-phenyl-methanolate; (Z)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)-phenyl-methanolate Formula: C51H39FeN6O6 MolecularWeight: 887.73696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=C(C2=CC=CC=C2)[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=C(C2=CC=CC=C2)[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=C(C2=CC=CC=C2)[O-])C3=CC=CC=C3.[Fe+3]

Isomeric SMILES

CC1=NN(C(=O)C1=C(C2=CC=CC=C2)[O-])C3=CC=CC=C3.CC1=NN(C(=O)C1=C(C2=CC=CC=C2)[O-])C3=CC=CC=C3.CC\1=NN(C(=O)/C1=C(/C2=CC=CC=C2)\[O-])C3=CC=CC=C3.[Fe+3]

InChI

InChI=1S/3C17H14N2O2.Fe/c3*1-12-15(16(20)13-8-4-2-5-9-13)17(21)19(18-12)14-10-6-3-7-11-14;/h3*2-11,20H,1H3;/q;;;+3/p-3/b16-15-;;;