carbon monoxide; ethyl (E)-6-methanidyl-5-methyl-hept-5-enoate; iron(2+)

Systemtic Name: carbon monoxide; ethyl (E)-6-methanidyl-5-methyl-hept-5-enoate; iron(2+) Openeye Name: ferrous; carbon monoxide; ethyl (E)-6-methanidyl-5-methyl-hept-5-enoate CAS Name: carbon monoxide; iron(2+); (E)-6-methanidyl-5-methyl-5-heptenoic acid ethyl ester IUPAC Name: carbon monoxide; ethyl (E)-6-methanidyl-5-methylhept-5-enoate; iron(2+) Traditional Name: ferrous; carbon monoxide; (E)-6-methanidyl-5-methyl-hept-5-enoic acid ethyl ester Formula: C14H18FeO5 MolecularWeight: 322.13472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[CH-]CCC(=C(C)[CH2-])C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

Isomeric SMILES

CCOC(=O)[CH-]CC/C(=C(/C)\[CH2-])/C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

InChI

InChI=1S/C11H18O2.3CO.Fe/c1-5-13-11(12)8-6-7-10(4)9(2)3;3*1-2;/h8H,2,5-7H2,1,3-4H3;;;;/q-2;;;;+2/b10-9+;;;;