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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC2=CC=CC=C2C)C(=O)O

InChI

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