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

Systemtic Name: 3-[(4-methylphenyl)methylsulfonyl]benzoic acid Openeye Name: 3-(p-tolylmethylsulfonyl)benzoic acid CAS Name: 3-[(4-methylphenyl)methylsulfonyl]benzoic acid IUPAC Name: 3-[(4-methylphenyl)methylsulfonyl]benzoic acid Traditional Name: 3-(4-methylbenzyl)sulfonylbenzoic acid Formula: C15H14O4S MolecularWeight: 290.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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