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

Systemtic Name: carbon monoxide; (5Z)-5-[(E)-4,4-dimethyl-1-phenyl-pent-1-en-3-ylidene]-4-methylsulfonyl-3-phenyl-furan-2-one; iron Openeye Name: (5Z)-5-[(E)-1-tert-butyl-3-phenyl-prop-2-enylidene]-4-methylsulfonyl-3-phenyl-furan-2-one; carbon monoxide; iron CAS Name: carbon monoxide; (5Z)-5-[(E)-4,4-dimethyl-1-phenylpent-1-en-3-ylidene]-4-methylsulfonyl-3-phenyl-2-furanone; iron IUPAC Name: carbon monoxide; (5Z)-5-[(E)-4,4-dimethyl-1-phenylpent-1-en-3-ylidene]-4-methylsulfonyl-3-phenylfuran-2-one; iron Traditional Name: (5Z)-5-[(E)-1-tert-butyl-3-phenyl-prop-2-enylidene]-4-mesyl-3-phenyl-furan-2-one; carbon monoxide; iron Formula: C27H24FeO7S MolecularWeight: 548.38526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C1C(=C(C(=O)O1)C2=CC=CC=C2)S(=O)(=O)C)C=CC3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(C)(C)/C(=C\1/C(=C(C(=O)O1)C2=CC=CC=C2)S(=O)(=O)C)/C=C/C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C24H24O4S.3CO.Fe/c1-24(2,3)19(16-15-17-11-7-5-8-12-17)21-22(29(4,26)27)20(23(25)28-21)18-13-9-6-10-14-18;3*1-2;/h5-16H,1-4H3;;;;/b16-15+,21-19-;;;;