carbon monoxide; ethyl (2Z)-2-[(E)-4,4-dimethyl-1-phenyl-pent-1-en-3-ylidene]-5-oxidanylidene-4-phenyl-furan-3-carboxylate; iron

Systemtic Name: carbon monoxide; ethyl (2Z)-2-[(E)-4,4-dimethyl-1-phenyl-pent-1-en-3-ylidene]-5-oxidanylidene-4-phenyl-furan-3-carboxylate; iron Openeye Name: carbon monoxide; ethyl (2Z)-2-[(E)-1-tert-butyl-3-phenyl-prop-2-enylidene]-5-oxo-4-phenyl-furan-3-carboxylate; iron CAS Name: carbon monoxide; (2Z)-2-[(E)-4,4-dimethyl-1-phenylpent-1-en-3-ylidene]-5-oxo-4-phenyl-3-furancarboxylic acid ethyl ester; iron IUPAC Name: carbon monoxide; ethyl (2Z)-2-[(E)-4,4-dimethyl-1-phenylpent-1-en-3-ylidene]-5-oxo-4-phenylfuran-3-carboxylate; iron Traditional Name: (2Z)-2-[(E)-1-tert-butyl-3-phenyl-prop-2-enylidene]-5-keto-4-phenyl-furan-3-carboxylic acid ethyl ester; carbon monoxide; iron Formula: C29H26FeO7 MolecularWeight: 542.35754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)OC1=C(C=CC2=CC=CC=C2)C(C)(C)C)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCOC(=O)C\1=C(C(=O)O/C1=C(/C=C/C2=CC=CC=C2)\C(C)(C)C)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C26H26O4.3CO.Fe/c1-5-29-24(27)22-21(19-14-10-7-11-15-19)25(28)30-23(22)20(26(2,3)4)17-16-18-12-8-6-9-13-18;3*1-2;/h6-17H,5H2,1-4H3;;;;/b17-16+,23-20-;;;;