carbon monoxide; (3E,5E)-1-ethylsulfanylhepta-3,5-dien-2-one; iron

Systemtic Name: carbon monoxide; (3E,5E)-1-ethylsulfanylhepta-3,5-dien-2-one; iron Openeye Name: carbon monoxide; (3E,5E)-1-ethylsulfanylhepta-3,5-dien-2-one; iron CAS Name: carbon monoxide; (3E,5E)-1-(ethylthio)-2-hepta-3,5-dienone; iron IUPAC Name: carbon monoxide; (3E,5E)-1-ethylsulfanylhepta-3,5-dien-2-one; iron Traditional Name: carbon monoxide; (3E,5E)-1-(ethylthio)hepta-3,5-dien-2-one; iron Formula: C12H14FeO4S MolecularWeight: 310.14716

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(=O)C=CC=CC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCSCC(=O)/C=C/C=C/C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H14OS.3CO.Fe/c1-3-5-6-7-9(10)8-11-4-2;3*1-2;/h3,5-7H,4,8H2,1-2H3;;;;/b5-3+,7-6+;;;;