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

Systemtic Name: 5-[(3-bromanyl-4-phenylmethoxy-phenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(4-benzyloxy-3-bromo-phenyl)methylene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3-bromo-4-phenylmethoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-(4-benzoxy-3-bromo-benzylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C23H23BrO5 MolecularWeight: 459.32972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(OC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)O1)C

Isomeric SMILES

CCCCC1(OC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)O1)C

InChI

InChI=1S/C23H23BrO5/c1-3-4-12-23(2)28-21(25)18(22(26)29-23)13-17-10-11-20(19(24)14-17)27-15-16-8-6-5-7-9-16/h5-11,13-14H,3-4,12,15H2,1-2H3