(2E)-2-[(2-ethynyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(2-ethynyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(2-ethynyl-6-fluoro-phenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(2-ethynyl-6-fluorophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(2-ethynyl-6-fluorophenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(2-ethynyl-6-fluoro-phenyl)acrylic acid Formula: C13H9FO3 MolecularWeight: 232.207163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=C(C=CC=C1F)C#C)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=C(C=CC=C1F)C#C)/C(=O)O

InChI

InChI=1S/C13H9FO3/c1-3-9-5-4-6-12(14)11(9)7-10(8(2)15)13(16)17/h1,4-7H,2H3,(H,16,17)/b10-7+