carbon monoxide; ethyl 4-tert-butyl-3-oxidanylidene-6-phenyl-2-(phenylmethylidene)hexa-4,5-dienoate; iron

Systemtic Name: carbon monoxide; ethyl 4-tert-butyl-3-oxidanylidene-6-phenyl-2-(phenylmethylidene)hexa-4,5-dienoate; iron Openeye Name: carbon monoxide; ethyl 4-tert-butyl-3-oxo-6-phenyl-2-(phenylmethylene)hexa-4,5-dienoate; iron CAS Name: 4-tert-butyl-3-oxo-6-phenyl-2-(phenylmethylidene)hexa-4,5-dienoic acid ethyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; ethyl 4-tert-butyl-3-oxo-6-phenyl-2-(phenylmethylidene)hexa-4,5-dienoate; iron Traditional Name: 4-tert-butyl-3-keto-6-phenyl-2-(phenylmethylene)hexa-4,5-dienoic acid ethyl ester; carbon monoxide; iron Formula: C28H25FeO6- MolecularWeight: 513.3395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=[C-]C1=CC=CC=C1)C(=O)C(=C=CC2=CC=CC=C2)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCOC(=O)C(=[C-]C1=CC=CC=C1)C(=O)C(=C=CC2=CC=CC=C2)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C25H25O3.3CO.Fe/c1-5-28-24(27)21(18-20-14-10-7-11-15-20)23(26)22(25(2,3)4)17-16-19-12-8-6-9-13-19;3*1-2;/h6-16H,5H2,1-4H3;;;;/q-1;;;;