carbon monoxide; iron; methyl (2E,4Z)-hexadeca-2,4-dien-7,10-diynoate

Systemtic Name: carbon monoxide; iron; methyl (2E,4Z)-hexadeca-2,4-dien-7,10-diynoate Openeye Name: carbon monoxide; iron; methyl (2E,4Z)-hexadeca-2,4-dien-7,10-diynoate CAS Name: carbon monoxide; (2E,4Z)-hexadeca-2,4-dien-7,10-diynoic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl (2E,4Z)-hexadeca-2,4-dien-7,10-diynoate Traditional Name: carbon monoxide; (2E,4Z)-hexadeca-2,4-dien-7,10-diynoic acid methyl ester; iron Formula: C20H22FeO5 MolecularWeight: 398.23068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC#CCC#CC/C=C\C=C\C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C17H22O2.3CO.Fe/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2;3*1-2;/h13-16H,3-6,9,12H2,1-2H3;;;;/b14-13-,16-15+;;;;