3-[4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(1,2,4-oxadiazol-3-ylmethylsulfonyl)phenyl]propionic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=NOC=N2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=NOC=N2

InChI

InChI=1S/C12H12N2O5S/c15-12(16)6-3-9-1-4-10(5-2-9)20(17,18)7-11-13-8-19-14-11/h1-2,4-5,8H,3,6-7H2,(H,15,16)