carbon monoxide; ethyl (E)-3-methyl-3-oxidanyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enoate; iron

Systemtic Name: carbon monoxide; ethyl (E)-3-methyl-3-oxidanyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enoate; iron Openeye Name: carbon monoxide; ethyl (E)-3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enoate; iron CAS Name: carbon monoxide; (E)-3-hydroxy-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)-4-pentenoic acid ethyl ester; iron IUPAC Name: carbon monoxide; ethyl (E)-3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enoate; iron Traditional Name: carbon monoxide; (E)-3-hydroxy-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-enoic acid ethyl ester; iron Formula: C20H28FeO6 MolecularWeight: 420.27772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C=CC1=C(CCCC1(C)C)C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCOC(=O)CC(C)(/C=C/C1=C(CCCC1(C)C)C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C17H28O3.3CO.Fe/c1-6-20-15(18)12-17(5,19)11-9-14-13(2)8-7-10-16(14,3)4;3*1-2;/h9,11,19H,6-8,10,12H2,1-5H3;;;;/b11-9+;;;;