4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid

Systemtic Name: 4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Openeye Name: 4-methyl-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid CAS Name: 4-methyl-3-[(5-methyl-3-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 4-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Traditional Name: 4-methyl-3-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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=NOC(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5S/c1-8-3-4-10(13(15)16)6-12(8)20(17,18)7-11-5-9(2)19-14-11/h3-6H,7H2,1-2H3,(H,15,16)