3-[4-(2-sulfanylethynyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(2-sulfanylethynyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-sulfanylethynyl)phenyl]propanoic acid CAS Name: 3-[4-(2-mercaptoethynyl)phenyl]propanoic acid IUPAC Name: 3-[4-(2-sulfanylethynyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-mercaptoethynyl)phenyl]propionic acid Formula: C11H10O2S MolecularWeight: 206.2609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)C#CS

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)C#CS

InChI

InChI=1S/C11H10O2S/c12-11(13)6-5-9-1-3-10(4-2-9)7-8-14/h1-4,14H,5-6H2,(H,12,13)