(2R)-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-2-oxidanyl-propanoic acid

Systemtic Name: (2R)-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonyl-2-oxidanyl-propanoic acid Openeye Name: (2R)-2-hydroxy-3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonyl-propanoic acid CAS Name: (2R)-2-hydroxy-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoic acid IUPAC Name: (2R)-2-hydroxy-3-[4-[2-(4-methylphenyl)ethynyl]phenyl]sulfonylpropanoic acid Traditional Name: (2R)-2-hydroxy-3-[4-[2-(p-tolyl)ethynyl]phenyl]sulfonyl-propionic acid Formula: C18H16O5S MolecularWeight: 344.38164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)S(=O)(=O)C[C@@H](C(=O)O)O

InChI

InChI=1S/C18H16O5S/c1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)24(22,23)12-17(19)18(20)21/h2-5,8-11,17,19H,12H2,1H3,(H,20,21)/t17-/m0/s1