carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate

Systemtic Name: carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate Openeye Name: ferrous; carbon monoxide; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate CAS Name: carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate IUPAC Name: carbon monoxide; iron(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate Traditional Name: ferrous; carbon monoxide; 1,2,3,4,5-pentamethylcyclopenta-1,3-diene; phenylmethanesulfinate Formula: C19H22FeO4S MolecularWeight: 402.28558

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C(=C(C(=C1C)C)C)C.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)CS(=O)[O-].[Fe+2]

Isomeric SMILES

C[C-]1C(=C(C(=C1C)C)C)C.[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)CS(=O)[O-].[Fe+2]

InChI

InChI=1S/C10H15.C7H8O2S.2CO.Fe/c1-6-7(2)9(4)10(5)8(6)3;8-10(9)6-7-4-2-1-3-5-7;2*1-2;/h1-5H3;1-5H,6H2,(H,8,9);;;/q-1;;;;+2/p-1