carbon monoxide; iron; methyl 3-(4-methoxycyclohexa-2,4-dien-1-yl)propanoate; perchlorate

Systemtic Name: carbon monoxide; iron; methyl 3-(4-methoxycyclohexa-2,4-dien-1-yl)propanoate; perchlorate Openeye Name: carbon monoxide; iron; methyl 3-(4-methoxycyclohexa-2,4-dien-1-yl)propanoate; perchlorate CAS Name: carbon monoxide; iron; 3-(4-methoxy-1-cyclohexa-2,4-dienyl)propanoic acid methyl ester; perchlorate IUPAC Name: carbon monoxide; iron; methyl 3-(4-methoxycyclohexa-2,4-dien-1-yl)propanoate; perchlorate Traditional Name: carbon monoxide; iron; 3-(4-methoxycyclohexa-2,4-dien-1-yl)propionic acid methyl ester; perchlorate Formula: C14H15ClFeO10 MolecularWeight: 434.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15O3.3CO.ClHO4.Fe/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2;3*1-2;2-1(3,4)5;/h3,6-7H,4-5,8H2,1-2H3;;;;(H,2,3,4,5);/q+1;;;;;/p-1