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

Systemtic Name: 5-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methylene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-(3-bromo-4-hydroxy-5-methoxy-benzylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C17H19BrO6 MolecularWeight: 399.23316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrO6/c1-4-5-6-17(2)23-15(20)11(16(21)24-17)7-10-8-12(18)14(19)13(9-10)22-3/h7-9,19H,4-6H2,1-3H3