carbon monoxide; iron; methanone; methylideneiron(1+); N-phenyl-N-phosphanyl-aniline

Systemtic Name: carbon monoxide; iron; methanone; methylideneiron(1+); N-phenyl-N-phosphanyl-aniline Openeye Name: carbon monoxide; iron; methanone; methyleneiron(1+); N-phenyl-N-phosphanyl-aniline CAS Name: carbon monoxide; iron; methanone; methyleneiron(1+); N-phenyl-N-phosphinoaniline IUPAC Name: carbon monoxide; iron; methanone; methylideneiron(1+); N-phenyl-N-phosphanylaniline Traditional Name: carbon monoxide; diphenyl(phosphino)amine; iron; methanone; methyleneiron(1+) Formula: C23H15Fe3NO10P MolecularWeight: 663.874661

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Descriptors Computed from Structure

Canonical SMILES:

C=[Fe+].[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N(C2=CC=CC=C2)P.[Fe].[Fe]

Isomeric SMILES

C=[Fe+].[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N(C2=CC=CC=C2)P.[Fe].[Fe]

InChI

InChI=1S/C12H12NP.CHO.9CO.CH2.3Fe/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;10*1-2;;;;/h1-10H,14H2;1H;;;;;;;;;;1H2;;;/q;-1;;;;;;;;;;;;;+1