5-methyl-2-[(3-methylphenyl)methylsulfonyl]benzoic acid

Systemtic Name: 5-methyl-2-[(3-methylphenyl)methylsulfonyl]benzoic acid Openeye Name: 5-methyl-2-(m-tolylmethylsulfonyl)benzoic acid CAS Name: 5-methyl-2-[(3-methylphenyl)methylsulfonyl]benzoic acid IUPAC Name: 5-methyl-2-[(3-methylphenyl)methylsulfonyl]benzoic acid Traditional Name: 5-methyl-2-(3-methylbenzyl)sulfonyl-benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4S/c1-11-4-3-5-13(8-11)10-21(19,20)15-7-6-12(2)9-14(15)16(17)18/h3-9H,10H2,1-2H3,(H,17,18)