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

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-4-methyl-benzoic acid Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]-4-methyl-benzoic acid CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylsulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]-4-methylbenzoic acid Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfonyl]-4-methyl-benzoic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=C(ON=C2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=C(ON=C2C)C

InChI

InChI=1S/C14H15NO5S/c1-8-4-5-11(14(16)17)6-13(8)21(18,19)7-12-9(2)15-20-10(12)3/h4-6H,7H2,1-3H3,(H,16,17)