5-methyl-2-(phenylmethyl)sulfonyl-benzoic acid

Systemtic Name: 5-methyl-2-(phenylmethyl)sulfonyl-benzoic acid Openeye Name: 2-benzylsulfonyl-5-methyl-benzoic acid CAS Name: 5-methyl-2-(phenylmethyl)sulfonylbenzoic acid IUPAC Name: 2-benzylsulfonyl-5-methylbenzoic acid Traditional Name: 2-benzylsulfonyl-5-methyl-benzoic acid Formula: C15H14O4S MolecularWeight: 290.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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