carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzoate; iron

Systemtic Name: carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzoate; iron Openeye Name: carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzoate; iron CAS Name: benzoic acid (4,4-dimethyl-1-cyclohexa-1,5-dienyl) ester; carbon monoxide; iron IUPAC Name: carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzoate; iron Traditional Name: benzoic acid (4,4-dimethylcyclohexa-1,5-dien-1-yl) ester; carbon monoxide; iron Formula: C18H16FeO5 MolecularWeight: 368.16164

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C=C1)OC(=O)C2=CC=CC=C2)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1(CC=C(C=C1)OC(=O)C2=CC=CC=C2)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C15H16O2.3CO.Fe/c1-15(2)10-8-13(9-11-15)17-14(16)12-6-4-3-5-7-12;3*1-2;/h3-10H,11H2,1-2H3;;;;