carbon monoxide; cyclopenta-1,3-diene; iron(6+); 4-nitrobenzenethiolate

Systemtic Name: carbon monoxide; cyclopenta-1,3-diene; iron(6+); 4-nitrobenzenethiolate Openeye Name: carbon monoxide; cyclopenta-1,3-diene; iron(6+); 4-nitrobenzenethiolate CAS Name: carbon monoxide; cyclopenta-1,3-diene; iron(6+); 4-nitrobenzenethiolate IUPAC Name: carbon monoxide; cyclopenta-1,3-diene; iron(6+); 4-nitrobenzenethiolate Traditional Name: carbon monoxide; cyclopenta-1,3-diene; iron(6+); 4-nitrobenzenethiolate Formula: C13H9FeNO4S+4 MolecularWeight: 331.12486

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.C1=CC(=CC=C1[N+](=O)[O-])[S-].[Fe+6]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.C1=CC(=CC=C1[N+](=O)[O-])[S-].[Fe+6]

InChI

InChI=1S/C6H5NO2S.C5H5.2CO.Fe/c8-7(9)5-1-3-6(10)4-2-5;1-2-4-5-3-1;2*1-2;/h1-4,10H;1-5H;;;/q;-1;;;+6/p-1