3-(4-methylphenyl)sulfonyl-3-phenyl-propanoic acid

Systemtic Name: 3-(4-methylphenyl)sulfonyl-3-phenyl-propanoic acid Openeye Name: 3-phenyl-3-(p-tolylsulfonyl)propanoic acid CAS Name: 3-(4-methylphenyl)sulfonyl-3-phenylpropanoic acid IUPAC Name: 3-(4-methylphenyl)sulfonyl-3-phenylpropanoic acid Traditional Name: 3-phenyl-3-tosyl-propionic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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