cyclopentane; 4-[(E)-2-cyclopentyl-1-phenyl-but-1-enyl]benzenecarbonitrile; iron(2+)

Systemtic Name: cyclopentane; 4-[(E)-2-cyclopentyl-1-phenyl-but-1-enyl]benzenecarbonitrile; iron(2+) Openeye Name: ferrous; cyclopentane; 4-[(E)-2-cyclopentyl-1-phenyl-but-1-enyl]benzonitrile CAS Name: cyclopentane; 4-[(E)-2-cyclopentyl-1-phenylbut-1-enyl]benzonitrile; iron(2+) IUPAC Name: cyclopentane; 4-[(E)-2-cyclopentyl-1-phenylbut-1-enyl]benzonitrile; iron(2+) Traditional Name: ferrous; cyclopentane; 4-[(E)-2-cyclopentyl-1-phenyl-but-1-enyl]benzonitrile Formula: C27H23FeN+2 MolecularWeight: 417.32322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)C#N)[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)C#N)/[C]3[CH][CH][CH][CH]3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C22H18N.C5H5.Fe/c1-2-21(18-8-6-7-9-18)22(19-10-4-3-5-11-19)20-14-12-17(16-23)13-15-20;1-2-4-5-3-1;/h3-15H,2H2,1H3;1-5H;/q;;+2