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

Systemtic Name: 2-[4-(2-phenylethynyl)phenyl]sulfonylpropanoic acid Openeye Name: 2-[4-(2-phenylethynyl)phenyl]sulfonylpropanoic acid CAS Name: 2-[4-(2-phenylethynyl)phenyl]sulfonylpropanoic acid IUPAC Name: 2-[4-(2-phenylethynyl)phenyl]sulfonylpropanoic acid Traditional Name: 2-[4-(2-phenylethynyl)phenyl]sulfonylpropionic acid Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O4S/c1-13(17(18)19)22(20,21)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13H,1H3,(H,18,19)