4-cyclopenta-1,4-dien-1-yl-4-oxidanylidene-butanenitrile; iron(2+)

Systemtic Name: 4-cyclopenta-1,4-dien-1-yl-4-oxidanylidene-butanenitrile; iron(2+) Openeye Name: ferrous 4-cyclopenta-1,4-dien-1-yl-4-oxo-butanenitrile CAS Name: 4-(1-cyclopenta-1,4-dienyl)-4-oxobutanenitrile; iron(2+) IUPAC Name: 4-cyclopenta-1,4-dien-1-yl-4-oxobutanenitrile; iron(2+) Traditional Name: ferrous 4-cyclopenta-1,4-dien-1-yl-4-keto-butyronitrile Formula: C18H16FeN2O2 MolecularWeight: 348.17684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=[C-]1)C(=O)CCC#N.C1C=CC(=[C-]1)C(=O)CCC#N.[Fe+2]

Isomeric SMILES

C1C=CC(=[C-]1)C(=O)CCC#N.C1C=CC(=[C-]1)C(=O)CCC#N.[Fe+2]

InChI

InChI=1S/2C9H8NO.Fe/c2*10-7-3-6-9(11)8-4-1-2-5-8;/h2*1,4H,2-3,6H2;/q2*-1;+2