2-butylhexane-1-sulfinate; carbon monoxide; cyclopenta-1,3-diene; iron

Systemtic Name: 2-butylhexane-1-sulfinate; carbon monoxide; cyclopenta-1,3-diene; iron Openeye Name: 2-butylhexane-1-sulfinate; carbon monoxide; cyclopenta-1,3-diene; iron CAS Name: 2-butyl-1-hexanesulfinate; carbon monoxide; cyclopenta-1,3-diene; iron IUPAC Name: 2-butylhexane-1-sulfinate; carbon monoxide; cyclopenta-1,3-diene; iron Traditional Name: 2-butylhexane-1-sulfinate; carbon monoxide; cyclopenta-1,3-diene; iron Formula: C17H26FeO4S-2 MolecularWeight: 382.29594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)CS(=O)[O-].[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[Fe]

Isomeric SMILES

CCCCC(CCCC)CS(=O)[O-].[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[Fe]

InChI

InChI=1S/C10H22O2S.C5H5.2CO.Fe/c1-3-5-7-10(8-6-4-2)9-13(11)12;1-2-4-5-3-1;2*1-2;/h10H,3-9H2,1-2H3,(H,11,12);1-5H;;;/q;-1;;;/p-1