carbon monoxide; iron; methyl (2E,4E,6S)-6,8-bis(oxidanyl)nona-2,4-dienoate

Systemtic Name: carbon monoxide; iron; methyl (2E,4E,6S)-6,8-bis(oxidanyl)nona-2,4-dienoate Openeye Name: carbon monoxide; iron; methyl (2E,4E,6S)-6,8-dihydroxynona-2,4-dienoate CAS Name: carbon monoxide; (2E,4E,6S)-6,8-dihydroxynona-2,4-dienoic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl (2E,4E,6S)-6,8-dihydroxynona-2,4-dienoate Traditional Name: carbon monoxide; (2E,4E,6S)-6,8-dihydroxynona-2,4-dienoic acid methyl ester; iron Formula: C13H16FeO7 MolecularWeight: 340.10694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O4.3CO.Fe/c1-8(11)7-9(12)5-3-4-6-10(13)14-2;3*1-2;/h3-6,8-9,11-12H,7H2,1-2H3;;;;/b5-3+,6-4+;;;;/t8?,9-;;;;/m1..../s1