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

Systemtic Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid Openeye Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid CAS Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid IUPAC Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid Traditional Name: 4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]benzoic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=N1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=NOC(=N1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)O

InChI

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