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

Systemtic Name: carbon monoxide; iron; 3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl ethanoate; perchlorate Openeye Name: carbon monoxide; iron; 3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl acetate; perchlorate CAS Name: acetic acid 3-(4-methoxy-1-cyclohexa-2,4-dienyl)propyl ester; carbon monoxide; iron; perchlorate IUPAC Name: carbon monoxide; iron; 3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl acetate; perchlorate Traditional Name: acetic acid 3-(4-methoxycyclohexa-2,4-dien-1-yl)propyl ester; carbon monoxide; iron; perchlorate Formula: C15H17ClFeO10 MolecularWeight: 448.58748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC[C+]1CC=C(C=C1)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]Cl(=O)(=O)=O.[Fe]

Isomeric SMILES

CC(=O)OCCC[C+]1CC=C(C=C1)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[O-]Cl(=O)(=O)=O.[Fe]

InChI

InChI=1S/C12H17O3.3CO.ClHO4.Fe/c1-10(13)15-9-3-4-11-5-7-12(14-2)8-6-11;3*1-2;2-1(3,4)5;/h5,7-8H,3-4,6,9H2,1-2H3;;;;(H,2,3,4,5);/q+1;;;;;/p-1