carbon monoxide; cyclopenta-1,3-diene; 3,3-diethylpentane-1-sulfinate; iron

Systemtic Name: carbon monoxide; cyclopenta-1,3-diene; 3,3-diethylpentane-1-sulfinate; iron Openeye Name: carbon monoxide; cyclopenta-1,3-diene; 3,3-diethylpentane-1-sulfinate; iron CAS Name: carbon monoxide; cyclopenta-1,3-diene; 3,3-diethyl-1-pentanesulfinate; iron IUPAC Name: carbon monoxide; cyclopenta-1,3-diene; 3,3-diethylpentane-1-sulfinate; iron Traditional Name: carbon monoxide; cyclopenta-1,3-diene; 3,3-diethylpentane-1-sulfinate; iron Formula: C16H24FeO4S-2 MolecularWeight: 368.26936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC)CCS(=O)[O-].[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CCC(CC)(CC)CCS(=O)[O-].[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C9H20O2S.C5H5.2CO.Fe/c1-4-9(5-2,6-3)7-8-12(10)11;1-2-4-5-3-1;2*1-2;/h4-8H2,1-3H3,(H,10,11);1-5H;;;/q;-1;;;/p-1