carbon monoxide; 2-cyclohexyl-1,3-dithiane; iron(2+); pentan-1-one

Systemtic Name: carbon monoxide; 2-cyclohexyl-1,3-dithiane; iron(2+); pentan-1-one Openeye Name: ferrous; carbon monoxide; 2-cyclohexyl-1,3-dithiane; pentan-1-one CAS Name: carbon monoxide; 2-cyclohexyl-1,3-dithiane; iron(2+); 1-pentanone IUPAC Name: carbon monoxide; 2-cyclohexyl-1,3-dithiane; iron(2+); pentan-1-one Traditional Name: ferrous; carbon monoxide; 2-cyclohexyl-1,3-dithiane; pentan-1-one Formula: C17H22FeO3S2+ MolecularWeight: 394.32978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[C-]=O.[C-]#[O+].[C-]#[O+].C1CSC(SC1)[C]2C[CH][CH][CH][CH]2.[Fe+2]

Isomeric SMILES

CCCC[C-]=O.[C-]#[O+].[C-]#[O+].C1CSC(SC1)[C]2C[CH][CH][CH][CH]2.[Fe+2]

InChI

InChI=1S/C10H13S2.C5H9O.2CO.Fe/c1-2-5-9(6-3-1)10-11-7-4-8-12-10;1-2-3-4-5-6;2*1-2;/h1-3,5,10H,4,6-8H2;2-4H2,1H3;;;/q;-1;;;+2