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

Systemtic Name: 4-ethyl-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid Openeye Name: 4-ethyl-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(1,2,4-oxadiazol-3-ylmethylsulfonyl)benzoic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=NOC=N2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=NOC=N2

InChI

InChI=1S/C12H12N2O5S/c1-2-8-3-4-9(12(15)16)5-10(8)20(17,18)6-11-13-7-19-14-11/h3-5,7H,2,6H2,1H3,(H,15,16)