3-[(4-methylphenyl)sulfonylmethyl]benzoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylmethyl]benzoic acid Openeye Name: 3-(p-tolylsulfonylmethyl)benzoic acid CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]benzoic acid IUPAC Name: 3-[(4-methylphenyl)sulfonylmethyl]benzoic acid Traditional Name: 3-(tosylmethyl)benzoic acid Formula: C15H14O4S MolecularWeight: 290.33426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14O4S/c1-11-5-7-14(8-6-11)20(18,19)10-12-3-2-4-13(9-12)15(16)17/h2-9H,10H2,1H3,(H,16,17)