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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC(=NO2)C

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC(=NO2)C

InChI

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