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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4S/c1-3-18(19(20)21)24(22,23)17-12-10-16(11-13-17)9-8-15-6-4-14(2)5-7-15/h4-7,10-13,18H,3H2,1-2H3,(H,20,21)