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

Systemtic Name: 5-[(5-bromanyl-2-oxidanyl-phenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-(5-bromo-2-hydroxy-benzylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C16H17BrO5 MolecularWeight: 369.20718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=C(C=CC(=C2)Br)O)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=C(C=CC(=C2)Br)O)C(=O)O1)C

InChI

InChI=1S/C16H17BrO5/c1-3-4-7-16(2)21-14(19)12(15(20)22-16)9-10-8-11(17)5-6-13(10)18/h5-6,8-9,18H,3-4,7H2,1-2H3