carbon monoxide; ethyl 3-[(1S,6S)-6-oxidanylcyclohepta-2,4-dien-1-yl]propanoate; iron

Systemtic Name: carbon monoxide; ethyl 3-[(1S,6S)-6-oxidanylcyclohepta-2,4-dien-1-yl]propanoate; iron Openeye Name: carbon monoxide; ethyl 3-[(1S,6S)-6-hydroxycyclohepta-2,4-dien-1-yl]propanoate; iron CAS Name: carbon monoxide; 3-[(1S,6S)-6-hydroxy-1-cyclohepta-2,4-dienyl]propanoic acid ethyl ester; iron IUPAC Name: carbon monoxide; ethyl 3-[(1S,6S)-6-hydroxycyclohepta-2,4-dien-1-yl]propanoate; iron Traditional Name: carbon monoxide; 3-[(1S,6S)-6-hydroxycyclohepta-2,4-dien-1-yl]propionic acid ethyl ester; iron Formula: C15H18FeO6 MolecularWeight: 350.14482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1CC(C=CC=C1)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCOC(=O)CC[C@H]1C[C@@H](C=CC=C1)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C12H18O3.3CO.Fe/c1-2-15-12(14)8-7-10-5-3-4-6-11(13)9-10;3*1-2;/h3-6,10-11,13H,2,7-9H2,1H3;;;;/t10-,11+;;;;/m0..../s1