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

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methylene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione CAS Name: 5-[(3-bromo-4-methoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methylidene]-2-butyl-2-methyl-1,3-dioxane-4,6-dione Traditional Name: 5-(3-bromo-4-methoxy-benzylidene)-2-butyl-2-methyl-1,3-dioxane-4,6-quinone Formula: C17H19BrO5 MolecularWeight: 383.23376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrO5/c1-4-5-8-17(2)22-15(19)12(16(20)23-17)9-11-6-7-14(21-3)13(18)10-11/h6-7,9-10H,4-5,8H2,1-3H3