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

Systemtic Name: 3-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]phenyl]sulfonylpropanoic acid Openeye Name: 3-[4-[2-oxo-2-(p-tolyl)ethyl]phenyl]sulfonylpropanoic acid CAS Name: 3-[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl]sulfonylpropanoic acid IUPAC Name: 3-[4-[2-(4-methylphenyl)-2-oxoethyl]phenyl]sulfonylpropanoic acid Traditional Name: 3-[4-[2-keto-2-(p-tolyl)ethyl]phenyl]sulfonylpropionic acid Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/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/h2-9H,10-12H2,1H3,(H,20,21)