carbon monoxide; (2,6-dimethylphenoxy)-methylidene-phosphanium; (2,6-dimethylphenoxy)phosphanium; iron

Systemtic Name: carbon monoxide; (2,6-dimethylphenoxy)-methylidene-phosphanium; (2,6-dimethylphenoxy)phosphanium; iron Openeye Name: carbon monoxide; (2,6-dimethylphenoxy)-methylene-phosphonium; (2,6-dimethylphenoxy)phosphonium; iron CAS Name: carbon monoxide; (2,6-dimethylphenoxy)-methylenephosphonium; (2,6-dimethylphenoxy)phosphonium; iron IUPAC Name: carbon monoxide; (2,6-dimethylphenoxy)-methylidenephosphanium; (2,6-dimethylphenoxy)phosphanium; iron Traditional Name: carbon monoxide; (2,6-dimethylphenoxy)-methylene-phosphonium; (2,6-dimethylphenoxy)phosphonium; iron Formula: C26H24Fe3O11P2+2 MolecularWeight: 741.944682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)O[PH3+].CC1=C(C(=CC=C1)C)O[PH+]=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe]

Isomeric SMILES

CC1=C(C(=CC=C1)C)O[PH3+].CC1=C(C(=CC=C1)C)O[PH+]=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe].[Fe]

InChI

InChI=1S/C9H11OP.C8H12OP.9CO.3Fe/c1-7-5-4-6-8(2)9(7)10-11-3;1-6-4-3-5-7(2)8(6)9-10;9*1-2;;;/h4-6H,3H2,1-2H3;3-5H,1-2,10H3;;;;;;;;;;;;/q;+1;;;;;;;;;;;;/p+1