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

Systemtic Name: [3-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxy-butanimidothioate Openeye Name: [4,5,6-trihydroxy-3-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-4-methylsulfanyl-N-sulfooxy-butanimidothioate CAS Name: (1E)-4-(methylthio)-N-sulfooxybutanimidothioic acid [4,5,6-trihydroxy-3-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [4,5,6-trihydroxy-3-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxybutanimidothioate Traditional Name: (1E)-4-(methylthio)-N-sulfoxy-thiobutyrimidic acid (4,5,6-trihydroxy-3-methylol-tetrahydropyran-2-yl) ester Formula: C11H21NO9S3 MolecularWeight: 407.48074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-6(5-13)8(14)9(15)10(16)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/b12-7+