1-cyclopenta-1,3-dien-1-yl-1-phenyl-3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-yn-1-ol; iron(2+)

Systemtic Name: 1-cyclopenta-1,3-dien-1-yl-1-phenyl-3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-yn-1-ol; iron(2+) Openeye Name: ferrous 1-cyclopenta-1,3-dien-1-yl-1-phenyl-3-(3-phenyl-4,5-dihydroisoxazol-5-yl)prop-2-yn-1-ol CAS Name: 1-(1-cyclopenta-1,3-dienyl)-1-phenyl-3-(3-phenyl-4,5-dihydroisoxazol-5-yl)-2-propyn-1-ol; iron(2+) IUPAC Name: 1-cyclopenta-1,3-dien-1-yl-1-phenyl-3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)prop-2-yn-1-ol; iron(2+) Traditional Name: ferrous 1-cyclopenta-1,3-dien-1-yl-1-phenyl-3-(3-phenyl-2-isoxazolin-5-yl)prop-2-yn-1-ol Formula: C46H36FeN2O4 MolecularWeight: 736.63404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=CC=C2)C#CC(C3=CC=C[CH-]3)(C4=CC=CC=C4)O.C1C(ON=C1C2=CC=CC=C2)C#CC(C3=CC=C[CH-]3)(C4=CC=CC=C4)O.[Fe+2]

Isomeric SMILES

C1C(ON=C1C2=CC=CC=C2)C#CC(C3=CC=C[CH-]3)(C4=CC=CC=C4)O.C1C(ON=C1C2=CC=CC=C2)C#CC(C3=CC=C[CH-]3)(C4=CC=CC=C4)O.[Fe+2]

InChI

InChI=1S/2C23H18NO2.Fe/c2*25-23(20-13-7-8-14-20,19-11-5-2-6-12-19)16-15-21-17-22(24-26-21)18-9-3-1-4-10-18;/h2*1-14,21,25H,17H2;/q2*-1;+2