carbon monoxide; iron; methyl (2E,4E,6S)-7-chloranyl-6-oxidanyl-hepta-2,4-dienoate

Systemtic Name: carbon monoxide; iron; methyl (2E,4E,6S)-7-chloranyl-6-oxidanyl-hepta-2,4-dienoate Openeye Name: carbon monoxide; iron; methyl (2E,4E,6S)-7-chloro-6-hydroxy-hepta-2,4-dienoate CAS Name: carbon monoxide; (2E,4E,6S)-7-chloro-6-hydroxyhepta-2,4-dienoic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl (2E,4E,6S)-7-chloro-6-hydroxyhepta-2,4-dienoate Traditional Name: carbon monoxide; (2E,4E,6S)-7-chloro-6-hydroxy-hepta-2,4-dienoic acid methyl ester; iron Formula: C11H11ClFeO6 MolecularWeight: 330.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11ClO3.3CO.Fe/c1-12-8(11)5-3-2-4-7(10)6-9;3*1-2;/h2-5,7,10H,6H2,1H3;;;;/b4-2+,5-3+;;;;/t7-;;;;/m0..../s1