3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylbutanoic acid

Systemtic Name: 3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylbutanoic acid Openeye Name: 3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylbutanoic acid CAS Name: 3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylbutanoic acid IUPAC Name: 3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylbutanoic acid Traditional Name: 3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonylbutyric acid Formula: C19H18O4S MolecularWeight: 342.40882

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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)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4S/c1-14-3-5-16(6-4-14)7-8-17-9-11-18(12-10-17)24(22,23)15(2)13-19(20)21/h3-6,9-12,15H,13H2,1-2H3,(H,20,21)