carbon monoxide; 2,2-dimethyl-5-[(3R,4E,6E,8S,9R)-9-methyl-8-oxidanyl-undeca-1,4,6,10-tetraen-3-yl]-1,3-dioxane-4,6-dione; iron

Systemtic Name: carbon monoxide; 2,2-dimethyl-5-[(3R,4E,6E,8S,9R)-9-methyl-8-oxidanyl-undeca-1,4,6,10-tetraen-3-yl]-1,3-dioxane-4,6-dione; iron Openeye Name: carbon monoxide; 5-[(1R,2E,4E,6S,7R)-6-hydroxy-7-methyl-1-vinyl-nona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxane-4,6-dione; iron CAS Name: carbon monoxide; 5-[(3R,4E,6E,8S,9R)-8-hydroxy-9-methylundeca-1,4,6,10-tetraen-3-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione; iron IUPAC Name: carbon monoxide; 5-[(3R,4E,6E,8S,9R)-8-hydroxy-9-methylundeca-1,4,6,10-tetraen-3-yl]-2,2-dimethyl-1,3-dioxane-4,6-dione; iron Traditional Name: carbon monoxide; 5-[(1R,2E,4E,6S,7R)-6-hydroxy-7-methyl-1-vinyl-nona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone; iron Formula: C21H24FeO8 MolecularWeight: 460.25546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C)C(C=CC=CC(C=C)C1C(=O)OC(OC1=O)(C)C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C[C@H](C=C)[C@H](/C=C/C=C/[C@@H](C=C)C1C(=O)OC(OC1=O)(C)C)O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C18H24O5.3CO.Fe/c1-6-12(3)14(19)11-9-8-10-13(7-2)15-16(20)22-18(4,5)23-17(15)21;3*1-2;/h6-15,19H,1-2H2,3-5H3;;;;/b10-8+,11-9+;;;;/t12-,13-,14+;;;;/m1..../s1