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

Systemtic Name: 3-[4-(2-methylphenyl)phenyl]sulfonylpropanoic acid Openeye Name: 3-[4-(o-tolyl)phenyl]sulfonylpropanoic acid CAS Name: 3-[4-(2-methylphenyl)phenyl]sulfonylpropanoic acid IUPAC Name: 3-[4-(2-methylphenyl)phenyl]sulfonylpropanoic acid Traditional Name: 3-[4-(o-tolyl)phenyl]sulfonylpropionic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C16H16O4S/c1-12-4-2-3-5-15(12)13-6-8-14(9-7-13)21(19,20)11-10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)