carbon monoxide; iron; 2-(4-methoxyphenyl)ethyl 4-nitrobenzoate; tetrafluoroborate

Systemtic Name: carbon monoxide; iron; 2-(4-methoxyphenyl)ethyl 4-nitrobenzoate; tetrafluoroborate Openeye Name: carbon monoxide; iron; 2-(4-methoxyphenyl)ethyl 4-nitrobenzoate; tetrafluoroborate CAS Name: carbon monoxide; iron; 4-nitrobenzoic acid 2-(4-methoxyphenyl)ethyl ester; tetrafluoroborate IUPAC Name: carbon monoxide; iron; 2-(4-methoxyphenyl)ethyl 4-nitrobenzoate; tetrafluoroborate Traditional Name: carbon monoxide; iron; 4-nitrobenzoic acid 2-(4-methoxyphenyl)ethyl ester; tetrafluoroborate Formula: C19H15BF4FeNO8- MolecularWeight: 527.973913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO5.3CO.BF4.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;2-1(3,4)5;/h2-9H,10-11H2,1H3;;;;;/q;;;;-1;