carbon monoxide; N-[(2E,4E)-hexa-2,4-dienyl]-N-phenyl-cyclohexa-1,3-diene-1-carboxamide; iron

Systemtic Name: carbon monoxide; N-[(2E,4E)-hexa-2,4-dienyl]-N-phenyl-cyclohexa-1,3-diene-1-carboxamide; iron Openeye Name: carbon monoxide; N-[(2E,4E)-hexa-2,4-dienyl]-N-phenyl-cyclohexa-1,3-diene-1-carboxamide; iron CAS Name: carbon monoxide; N-[(2E,4E)-hexa-2,4-dienyl]-N-phenyl-1-cyclohexa-1,3-dienecarboxamide; iron IUPAC Name: carbon monoxide; N-[(2E,4E)-hexa-2,4-dienyl]-N-phenylcyclohexa-1,3-diene-1-carboxamide; iron Traditional Name: carbon monoxide; N-[(2E,4E)-hexa-2,4-dienyl]-N-phenyl-cyclohexa-1,3-diene-1-carboxamide; iron Formula: C22H21FeNO4 MolecularWeight: 419.25144

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CCN(C1=CC=CC=C1)C(=O)C2=CC=CCC2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C/C=C/C=C/CN(C1=CC=CC=C1)C(=O)C2=CC=CCC2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C19H21NO.3CO.Fe/c1-2-3-4-11-16-20(18-14-9-6-10-15-18)19(21)17-12-7-5-8-13-17;3*1-2;/h2-7,9-12,14-15H,8,13,16H2,1H3;;;;/b3-2+,11-4+;;;;