3-[[3-(phenylsulfonyloxy)-1,2-oxazol-5-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[3-(phenylsulfonyloxy)-1,2-oxazol-5-yl]sulfanyl]propanoic acid Openeye Name: 3-[3-(benzenesulfonyloxy)isoxazol-5-yl]sulfanylpropanoic acid CAS Name: 3-[[3-(benzenesulfonyloxy)-5-isoxazolyl]thio]propanoic acid IUPAC Name: 3-[[3-(benzenesulfonyloxy)-1,2-oxazol-5-yl]sulfanyl]propanoic acid Traditional Name: 3-[(3-besyloxyisoxazol-5-yl)thio]propionic acid Formula: C12H11NO6S2 MolecularWeight: 329.34884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=NOC(=C2)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=NOC(=C2)SCCC(=O)O

InChI

InChI=1S/C12H11NO6S2/c14-11(15)6-7-20-12-8-10(13-18-12)19-21(16,17)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)