carbon monoxide; dimethyl 2-(2-tert-butyl-4-phenyl-buta-2,3-dienoyl)but-2-enedioate; iron

Systemtic Name: carbon monoxide; dimethyl 2-(2-tert-butyl-4-phenyl-buta-2,3-dienoyl)but-2-enedioate; iron Openeye Name: carbon monoxide; dimethyl 2-(2-tert-butyl-4-phenyl-buta-2,3-dienoyl)but-2-enedioate; iron CAS Name: 2-(2-tert-butyl-1-oxo-4-phenylbuta-2,3-dienyl)-2-butenedioic acid dimethyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; dimethyl 2-(2-tert-butyl-4-phenylbuta-2,3-dienoyl)but-2-enedioate; iron Traditional Name: 2-(2-tert-butyl-4-phenyl-buta-2,3-dienoyl)but-2-enedioic acid dimethyl ester; carbon monoxide; iron Formula: C23H21FeO8- MolecularWeight: 481.25304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21O5.3CO.Fe/c1-20(2,3)16(12-11-14-9-7-6-8-10-14)18(22)15(19(23)25-5)13-17(21)24-4;3*1-2;/h6-11H,1-5H3;;;;/q-1;;;;