carbon monoxide; iron; methyl 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethanoate; perchlorate

Systemtic Name: carbon monoxide; iron; methyl 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethanoate; perchlorate Openeye Name: carbon monoxide; iron; methyl 2-(4-methoxycyclohexa-2,4-dien-1-yl)acetate; perchlorate CAS Name: carbon monoxide; iron; 2-(4-methoxy-1-cyclohexa-2,4-dienyl)acetic acid methyl ester; perchlorate IUPAC Name: carbon monoxide; iron; methyl 2-(4-methoxycyclohexa-2,4-dien-1-yl)acetate; perchlorate Traditional Name: carbon monoxide; iron; 2-(4-methoxycyclohexa-2,4-dien-1-yl)acetic acid methyl ester; perchlorate Formula: C13H13ClFeO10 MolecularWeight: 420.53432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC[C+](C=C1)CC(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]Cl(=O)(=O)=O.[Fe]

Isomeric SMILES

COC1=CC[C+](C=C1)CC(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]Cl(=O)(=O)=O.[Fe]

InChI

InChI=1S/C10H13O3.3CO.ClHO4.Fe/c1-12-9-5-3-8(4-6-9)7-10(11)13-2;3*1-2;2-1(3,4)5;/h3,5-6H,4,7H2,1-2H3;;;;(H,2,3,4,5);/q+1;;;;;/p-1