3-methoxy-4-[(3-methylphenyl)methylsulfinyl]benzoic acid

Systemtic Name: 3-methoxy-4-[(3-methylphenyl)methylsulfinyl]benzoic acid Openeye Name: 3-methoxy-4-(m-tolylmethylsulfinyl)benzoic acid CAS Name: 3-methoxy-4-[(3-methylphenyl)methylsulfinyl]benzoic acid IUPAC Name: 3-methoxy-4-[(3-methylphenyl)methylsulfinyl]benzoic acid Traditional Name: 3-methoxy-4-(3-methylbenzyl)sulfinyl-benzoic acid Formula: C16H16O4S MolecularWeight: 304.36084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O4S/c1-11-4-3-5-12(8-11)10-21(19)15-7-6-13(16(17)18)9-14(15)20-2/h3-9H,10H2,1-2H3,(H,17,18)