2-[(4-chlorophenyl)methylsulfinyl]-5-methyl-benzoic acid

Systemtic Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-methyl-benzoic acid Openeye Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-methyl-benzoic acid CAS Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-methylbenzoic acid IUPAC Name: 2-[(4-chlorophenyl)methylsulfinyl]-5-methylbenzoic acid Traditional Name: 2-(4-chlorobenzyl)sulfinyl-5-methyl-benzoic acid Formula: C15H13ClO3S MolecularWeight: 308.77992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClO3S/c1-10-2-7-14(13(8-10)15(17)18)20(19)9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)