(3E)-3-[(4-chloranyl-2,5-dimethoxy-phenyl)methylidene]-4-oxidanylidene-pentanoic acid

Systemtic Name: (3E)-3-[(4-chloranyl-2,5-dimethoxy-phenyl)methylidene]-4-oxidanylidene-pentanoic acid Openeye Name: (3E)-3-[(4-chloro-2,5-dimethoxy-phenyl)methylene]-4-oxo-pentanoic acid CAS Name: (3E)-3-[(4-chloro-2,5-dimethoxyphenyl)methylidene]-4-oxopentanoic acid IUPAC Name: (3E)-3-[(4-chloro-2,5-dimethoxyphenyl)methylidene]-4-oxopentanoic acid Traditional Name: (E)-3-acetyl-4-(4-chloro-2,5-dimethoxy-phenyl)but-3-enoic acid Formula: C14H15ClO5 MolecularWeight: 298.7189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=C(C=C1OC)Cl)OC)CC(=O)O

Isomeric SMILES

CC(=O)/C(=C/C1=CC(=C(C=C1OC)Cl)OC)/CC(=O)O

InChI

InChI=1S/C14H15ClO5/c1-8(16)9(6-14(17)18)4-10-5-13(20-3)11(15)7-12(10)19-2/h4-5,7H,6H2,1-3H3,(H,17,18)/b9-4+