2-butyl-5-[(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione

Systemtic Name: 2-butyl-5-[(3-ethoxy-5-iodanyl-4-oxidanyl-phenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-butyl-5-[(3-ethoxy-4-hydroxy-5-iodo-phenyl)methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-butyl-5-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-butyl-5-[(3-ethoxy-4-hydroxy-5-iodophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-butyl-5-(3-ethoxy-4-hydroxy-5-iodo-benzylidene)-2-methyl-1,3-dioxane-4,6-quinone Formula: C18H21IO6 MolecularWeight: 460.26021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=CC(=C(C(=C2)I)O)OCC)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC(=C(C(=C2)I)O)OCC)C(=O)O1)C

InChI

InChI=1S/C18H21IO6/c1-4-6-7-18(3)24-16(21)12(17(22)25-18)8-11-9-13(19)15(20)14(10-11)23-5-2/h8-10,20H,4-7H2,1-3H3