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

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

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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

Isomeric SMILES

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

InChI

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