carbon monoxide; iron; 2-methylbut-3-ene-2-sulfinate; 5-methylcyclopenta-1,3-diene

Systemtic Name: carbon monoxide; iron; 2-methylbut-3-ene-2-sulfinate; 5-methylcyclopenta-1,3-diene Openeye Name: carbon monoxide; iron; 2-methylbut-3-ene-2-sulfinate; 5-methylcyclopenta-1,3-diene CAS Name: carbon monoxide; iron; 2-methyl-3-butene-2-sulfinate; 5-methylcyclopenta-1,3-diene IUPAC Name: carbon monoxide; iron; 2-methylbut-3-ene-2-sulfinate; 5-methylcyclopenta-1,3-diene Traditional Name: carbon monoxide; iron; 2-methylbut-3-ene-2-sulfinate; 5-methylcyclopenta-1,3-diene Formula: C13H16FeO4S-2 MolecularWeight: 324.17374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H7.C5H10O2S.2CO.Fe/c1-6-4-2-3-5-6;1-4-5(2,3)8(6)7;2*1-2;/h2-5H,1H3;4H,1H2,2-3H3,(H,6,7);;;/q-1;;;;/p-1