2-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoic acid

Systemtic Name: 2-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoic acid Openeye Name: 2-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylpropanoic acid CAS Name: 2-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoic acid IUPAC Name: 2-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoic acid Traditional Name: 2-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylpropionic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)C(C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)C(C)C(=O)O

InChI

InChI=1S/C18H16O4S/c1-13-3-5-15(6-4-13)7-8-16-9-11-17(12-10-16)23(21,22)14(2)18(19)20/h3-6,9-12,14H,1-2H3,(H,19,20)