iron(3+); 5-methyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: iron(3+); 5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: ferric 5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: iron(3+); 5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: iron(3+); 5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: ferric 5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C60H60FeN12O6+3 MolecularWeight: 1101.0402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C10H10N2O.Fe/c6*1-8-7-10(13)12(11-8)9-5-3-2-4-6-9;/h6*2-6H,7H2,1H3;/q;;;;;;+3