(2E)-2-[(3-ethynylphenyl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-2-[(3-ethynylphenyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-2-[(3-ethynylphenyl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-2-acetyl-3-(3-ethynylphenyl)acrylic acid Formula: C13H10O3 MolecularWeight: 214.2167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC(=C1)C#C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H10O3/c1-3-10-5-4-6-11(7-10)8-12(9(2)14)13(15)16/h1,4-8H,2H3,(H,15,16)/b12-8+