carbon monoxide; iron; (2S,3E)-1-phenyl-N-(phenylmethyl)hexa-3,5-dien-2-amine

Systemtic Name: carbon monoxide; iron; (2S,3E)-1-phenyl-N-(phenylmethyl)hexa-3,5-dien-2-amine Openeye Name: (2S,3E)-N-benzyl-1-phenyl-hexa-3,5-dien-2-amine; carbon monoxide; iron CAS Name: carbon monoxide; iron; (2S,3E)-1-phenyl-N-(phenylmethyl)-2-hexa-3,5-dienamine IUPAC Name: (2S,3E)-N-benzyl-1-phenylhexa-3,5-dien-2-amine; carbon monoxide; iron Traditional Name: benzyl-[(1S,2E)-1-benzylpenta-2,4-dienyl]amine; carbon monoxide; iron Formula: C22H21FeNO3 MolecularWeight: 403.25204

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CC(CC1=CC=CC=C1)NCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C=C/C=C/[C@H](CC1=CC=CC=C1)NCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C19H21N.3CO.Fe/c1-2-3-14-19(15-17-10-6-4-7-11-17)20-16-18-12-8-5-9-13-18;3*1-2;/h2-14,19-20H,1,15-16H2;;;;/b14-3+;;;;/t19-;;;;/m1..../s1