carbon monoxide; iron(3+); 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate

Systemtic Name: carbon monoxide; iron(3+); 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate Openeye Name: ferric; carbon monoxide; 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate CAS Name: carbon monoxide; iron(3+); 4-nitrobenzoic acid 2-(4-methoxy-1-cyclohexa-2,4-dienyl)ethyl ester IUPAC Name: carbon monoxide; iron(3+); 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl 4-nitrobenzoate Traditional Name: ferric; carbon monoxide; 4-nitrobenzoic acid 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl ester Formula: C19H16FeNO8+4 MolecularWeight: 442.17724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC([C+]=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+3]

Isomeric SMILES

COC1=CCC([C+]=C1)CCOC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+3]

InChI

InChI=1S/C16H16NO5.3CO.Fe/c1-21-15-8-2-12(3-9-15)10-11-22-16(18)13-4-6-14(7-5-13)17(19)20;3*1-2;/h4-9,12H,2,10-11H2,1H3;;;;/q+1;;;;+3