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

Systemtic Name: 3-[(4-chlorophenyl)methylsulfonyl]-4-methyl-benzoic acid Openeye Name: 3-[(4-chlorophenyl)methylsulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(4-chlorophenyl)methylsulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[(4-chlorophenyl)methylsulfonyl]-4-methylbenzoic acid Traditional Name: 3-(4-chlorobenzyl)sulfonyl-4-methyl-benzoic acid Formula: C15H13ClO4S MolecularWeight: 324.77932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClO4S/c1-10-2-5-12(15(17)18)8-14(10)21(19,20)9-11-3-6-13(16)7-4-11/h2-8H,9H2,1H3,(H,17,18)