carbon monoxide; 3-cyclohexa-2,4-dien-1-ylpropanoic acid; iron

Systemtic Name: carbon monoxide; 3-cyclohexa-2,4-dien-1-ylpropanoic acid; iron Openeye Name: carbon monoxide; 3-cyclohexa-2,4-dien-1-ylpropanoic acid; iron CAS Name: carbon monoxide; 3-(1-cyclohexa-2,4-dienyl)propanoic acid; iron IUPAC Name: carbon monoxide; 3-cyclohexa-2,4-dien-1-ylpropanoic acid; iron Traditional Name: carbon monoxide; 3-cyclohexa-2,4-dien-1-ylpropionic acid; iron Formula: C12H12FeO5 MolecularWeight: 292.06568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC1CCC(=O)O.[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=CC1CCC(=O)O.[Fe]

InChI

InChI=1S/C9H12O2.3CO.Fe/c10-9(11)7-6-8-4-2-1-3-5-8;3*1-2;/h1-4,8H,5-7H2,(H,10,11);;;;