3-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-(2-phenylethynyl)phenyl]thio]propanoic acid IUPAC Name: 3-[4-(2-phenylethynyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(2-phenylethynyl)phenyl]thio]propionic acid Formula: C17H14O2S MolecularWeight: 282.35686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O2S/c18-17(19)12-13-20-16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h1-5,8-11H,12-13H2,(H,18,19)