4-(2-cyclopenta-2,4-dien-1-ylethenyl)benzenecarbonitrile; iron

Systemtic Name: 4-(2-cyclopenta-2,4-dien-1-ylethenyl)benzenecarbonitrile; iron Openeye Name: 4-(2-cyclopenta-2,4-dien-1-ylvinyl)benzonitrile; iron CAS Name: 4-[2-(1-cyclopenta-2,4-dienyl)ethenyl]benzonitrile; iron IUPAC Name: 4-(2-cyclopenta-2,4-dien-1-ylethenyl)benzonitrile; iron Traditional Name: 4-(2-cyclopenta-2,4-dien-1-ylvinyl)benzonitrile; iron Formula: C28H20FeN2-2 MolecularWeight: 440.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[C-](C=C1)C=CC2=CC=C(C=C2)C#N.C1=C[C-](C=C1)C=CC2=CC=C(C=C2)C#N.[Fe]

Isomeric SMILES

C1=C[C-](C=C1)C=CC2=CC=C(C=C2)C#N.C1=C[C-](C=C1)C=CC2=CC=C(C=C2)C#N.[Fe]

InChI

InChI=1S/2C14H10N.Fe/c2*15-11-14-9-7-13(8-10-14)6-5-12-3-1-2-4-12;/h2*1-10H;/q2*-1;