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

Systemtic Name: 5-[(4-bromophenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(4-bromophenyl)methylene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[(4-bromophenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(4-bromophenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-(4-bromobenzylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C16H17BrO4 MolecularWeight: 353.20778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrO4/c1-3-4-9-16(2)20-14(18)13(15(19)21-16)10-11-5-7-12(17)8-6-11/h5-8,10H,3-4,9H2,1-2H3