2-ethanoyl-5-(2-phenylethynyl)benzoic acid

Systemtic Name: 2-ethanoyl-5-(2-phenylethynyl)benzoic acid Openeye Name: 2-acetyl-5-(2-phenylethynyl)benzoic acid CAS Name: 2-acetyl-5-(2-phenylethynyl)benzoic acid IUPAC Name: 2-acetyl-5-(2-phenylethynyl)benzoic acid Traditional Name: 2-acetyl-5-(2-phenylethynyl)benzoic acid Formula: C17H12O3 MolecularWeight: 264.27538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)C#CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)C#CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H12O3/c1-12(18)15-10-9-14(11-16(15)17(19)20)8-7-13-5-3-2-4-6-13/h2-6,9-11H,1H3,(H,19,20)