[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxy-pentanimidothioate

Systemtic Name: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxy-pentanimidothioate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-5-methylsulfinyl-N-sulfooxy-pentanimidothioate CAS Name: (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate Traditional Name: (1E)-5-methylsulfinyl-N-sulfoxy-thiovalerimidic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C12H23NO10S3 MolecularWeight: 437.50672

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O

Isomeric SMILES

CS(=O)CCCC/C(=N\OS(=O)(=O)O)/SC1C(C(C(C(O1)CO)O)O)O

InChI

InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+