3-[4-(1,2-oxazol-5-ylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(1,2-oxazol-5-ylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(isoxazol-5-ylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(5-isoxazolylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(1,2-oxazol-5-ylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(isoxazol-5-ylmethylsulfonyl)phenyl]propionic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CC=NO2

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CC=NO2

InChI

InChI=1S/C13H13NO5S/c15-13(16)6-3-10-1-4-12(5-2-10)20(17,18)9-11-7-8-14-19-11/h1-2,4-5,7-8H,3,6,9H2,(H,15,16)