3,4-dimethyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid

Systemtic Name: 3,4-dimethyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 3-(isoxazol-5-ylmethylsulfonyl)-4,5-dimethyl-benzoic acid CAS Name: 3-(5-isoxazolylmethylsulfonyl)-4,5-dimethylbenzoic acid IUPAC Name: 3,4-dimethyl-5-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 3-(isoxazol-5-ylmethylsulfonyl)-4,5-dimethyl-benzoic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=NO2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=NO2)C

InChI

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