carbon monoxide; iron; methyl (2E,4E,6S)-6-oxidanylnona-2,4,8-trienoate

Systemtic Name: carbon monoxide; iron; methyl (2E,4E,6S)-6-oxidanylnona-2,4,8-trienoate Openeye Name: carbon monoxide; iron; methyl (2E,4E,6S)-6-hydroxynona-2,4,8-trienoate CAS Name: carbon monoxide; (2E,4E,6S)-6-hydroxynona-2,4,8-trienoic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl (2E,4E,6S)-6-hydroxynona-2,4,8-trienoate Traditional Name: carbon monoxide; (2E,4E,6S)-6-hydroxynona-2,4,8-trienoic acid methyl ester; iron Formula: C13H14FeO6 MolecularWeight: 322.09166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)/C=C/C=C/[C@H](CC=C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H14O3.3CO.Fe/c1-3-6-9(11)7-4-5-8-10(12)13-2;3*1-2;/h3-5,7-9,11H,1,6H2,2H3;;;;/b7-4+,8-5+;;;;/t9-;;;;/m0..../s1