4-methyl-3-[(3-methylphenyl)methylsulfonyl]benzoic acid

Systemtic Name: 4-methyl-3-[(3-methylphenyl)methylsulfonyl]benzoic acid Openeye Name: 4-methyl-3-(m-tolylmethylsulfonyl)benzoic acid CAS Name: 4-methyl-3-[(3-methylphenyl)methylsulfonyl]benzoic acid IUPAC Name: 4-methyl-3-[(3-methylphenyl)methylsulfonyl]benzoic acid Traditional Name: 4-methyl-3-(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=CC(=C2)C(=O)O)C

Isomeric SMILES

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

InChI

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