4,4a,5,6-tetrahydrophenanthridine; carbon monoxide; iron

Systemtic Name: 4,4a,5,6-tetrahydrophenanthridine; carbon monoxide; iron Openeye Name: 4,4a,5,6-tetrahydrophenanthridine; carbon monoxide; iron CAS Name: 4,4a,5,6-tetrahydrophenanthridine; carbon monoxide; iron IUPAC Name: 4,4a,5,6-tetrahydrophenanthridine; carbon monoxide; iron Traditional Name: 4,4a,5,6-tetrahydrophenanthridine; carbon monoxide; iron Formula: C16H13FeNO3 MolecularWeight: 323.12432

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=C2C1NCC3=CC=CC=C32.[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=C2C1NCC3=CC=CC=C32.[Fe]

InChI

InChI=1S/C13H13N.3CO.Fe/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;3*1-2;/h1-7,13-14H,8-9H2;;;;