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

Systemtic Name: 4-methyl-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Openeye Name: 3-(isoxazol-5-ylmethylsulfonyl)-4-methyl-benzoic acid CAS Name: 3-(5-isoxazolylmethylsulfonyl)-4-methylbenzoic acid IUPAC Name: 4-methyl-3-(1,2-oxazol-5-ylmethylsulfonyl)benzoic acid Traditional Name: 3-(isoxazol-5-ylmethylsulfonyl)-4-methyl-benzoic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5S/c1-8-2-3-9(12(14)15)6-11(8)19(16,17)7-10-4-5-13-18-10/h2-6H,7H2,1H3,(H,14,15)