[3-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxy-heptanimidothioate

Systemtic Name: [3-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxy-heptanimidothioate Openeye Name: [4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-7-methylsulfanyl-N-sulfooxy-heptanimidothioate CAS Name: (1E)-7-(methylthio)-N-sulfooxyheptanimidothioic acid [4,5,6-trihydroxy-3-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl] (1E)-7-methylsulfanyl-N-sulfooxyheptanimidothioate Traditional Name: (1E)-7-(methylthio)-N-sulfoxy-thioenanthimidic acid (4,5,6-trihydroxy-3-methylol-tetrahydropyran-2-yl) ester Formula: C14H27NO9S3 MolecularWeight: 449.56048

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)O)O)O)CO

Isomeric SMILES

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

InChI

InChI=1S/C14H27NO9S3/c1-25-7-5-3-2-4-6-10(15-24-27(20,21)22)26-14-9(8-16)11(17)12(18)13(19)23-14/h9,11-14,16-19H,2-8H2,1H3,(H,20,21,22)/b15-10+