2-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 2-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid Openeye Name: 2-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid CAS Name: 2-[[4-(2-phenylethynyl)phenyl]thio]propanoic acid IUPAC Name: 2-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[4-(2-phenylethynyl)phenyl]thio]propionic acid Formula: C17H14O2S MolecularWeight: 282.35686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SC1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H14O2S/c1-13(17(18)19)20-16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13H,1H3,(H,18,19)