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

Systemtic Name: 5-[(5-bromanyl-2-oxidanyl-phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(5-bromo-2-hydroxy-phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[(5-bromo-2-hydroxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(5-bromo-2-hydroxyphenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-(5-bromo-2-hydroxy-benzyl)-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C13H13BrO5 MolecularWeight: 329.14332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrO5/c1-13(2)18-11(16)9(12(17)19-13)6-7-5-8(14)3-4-10(7)15/h3-5,9,15H,6H2,1-2H3