2-[4-[(4-methylphenyl)methylsulfonyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(4-methylphenyl)methylsulfonyl]phenyl]ethanoic acid Openeye Name: 2-[4-(p-tolylmethylsulfonyl)phenyl]acetic acid CAS Name: 2-[4-[(4-methylphenyl)methylsulfonyl]phenyl]acetic acid IUPAC Name: 2-[4-[(4-methylphenyl)methylsulfonyl]phenyl]acetic acid Traditional Name: 2-[4-(4-methylbenzyl)sulfonylphenyl]acetic acid Formula: C16H16O4S MolecularWeight: 304.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4S/c1-12-2-4-14(5-3-12)11-21(19,20)15-8-6-13(7-9-15)10-16(17)18/h2-9H,10-11H2,1H3,(H,17,18)