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

Systemtic Name: 2-tert-butyl-5-[(3-iodanyl-4-oxidanyl-phenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 2-tert-butyl-5-[(4-hydroxy-3-iodo-phenyl)methylene]-2-methyl-1,3-dioxane-4,6-dione CAS Name: 2-tert-butyl-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 2-tert-butyl-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 2-tert-butyl-5-(4-hydroxy-3-iodo-benzylidene)-2-methyl-1,3-dioxane-4,6-quinone Formula: C16H17IO5 MolecularWeight: 416.20765

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(=CC2=CC(=C(C=C2)O)I)C(=O)O1)C(C)(C)C

Isomeric SMILES

CC1(OC(=O)C(=CC2=CC(=C(C=C2)O)I)C(=O)O1)C(C)(C)C

InChI

InChI=1S/C16H17IO5/c1-15(2,3)16(4)21-13(19)10(14(20)22-16)7-9-5-6-12(18)11(17)8-9/h5-8,18H,1-4H3