3-[4-[2-(4-methylphenyl)-2-oxidanyl-ethyl]phenyl]sulfonylpropanoic acid

Systemtic Name: 3-[4-[2-(4-methylphenyl)-2-oxidanyl-ethyl]phenyl]sulfonylpropanoic acid Openeye Name: 3-[4-[2-hydroxy-2-(p-tolyl)ethyl]phenyl]sulfonylpropanoic acid CAS Name: 3-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]phenyl]sulfonylpropanoic acid IUPAC Name: 3-[4-[2-hydroxy-2-(4-methylphenyl)ethyl]phenyl]sulfonylpropanoic acid Traditional Name: 3-[4-[2-hydroxy-2-(p-tolyl)ethyl]phenyl]sulfonylpropionic acid Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O5S/c1-13-2-6-15(7-3-13)17(19)12-14-4-8-16(9-5-14)24(22,23)11-10-18(20)21/h2-9,17,19H,10-12H2,1H3,(H,20,21)