3-(4-chloranyl-3-methylsulfonyloxy-1,2-oxazol-5-yl)propanethioic S-acid

Systemtic Name: 3-(4-chloranyl-3-methylsulfonyloxy-1,2-oxazol-5-yl)propanethioic S-acid Openeye Name: 3-(4-chloro-3-methylsulfonyloxy-isoxazol-5-yl)propanethioic S-acid CAS Name: 3-(4-chloro-3-methylsulfonyloxy-5-isoxazolyl)propanethioic S-acid IUPAC Name: 3-(4-chloro-3-methylsulfonyloxy-1,2-oxazol-5-yl)propanethioic S-acid Traditional Name: 3-(4-chloro-3-methylsulfonyloxy-isoxazol-5-yl)thiopropionic acid Formula: C7H8ClNO5S2 MolecularWeight: 285.72512

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=NOC(=C1Cl)CCC(=O)S

Isomeric SMILES

CS(=O)(=O)OC1=NOC(=C1Cl)CCC(=O)S

InChI

InChI=1S/C7H8ClNO5S2/c1-16(11,12)14-7-6(8)4(13-9-7)2-3-5(10)15/h2-3H2,1H3,(H,10,15)