[5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl] (1Z)-2-phenyl-N-sulfooxy-ethanimidothioate

Systemtic Name: [5-(hydroxymethyl)-2,3,4-tris(oxidanyl)cyclohexyl] (1Z)-2-phenyl-N-sulfooxy-ethanimidothioate Openeye Name: [2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] (1Z)-2-phenyl-N-sulfooxy-ethanimidothioate CAS Name: (1Z)-2-phenyl-N-sulfooxyethanimidothioic acid [2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] ester IUPAC Name: [2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl] (1Z)-2-phenyl-N-sulfooxyethanimidothioate Traditional Name: (1Z)-2-phenyl-N-sulfoxy-thioacetimidic acid (2,3,4-trihydroxy-5-methylol-cyclohexyl) ester Formula: C15H21NO8S2 MolecularWeight: 407.45914

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1SC(=NOS(=O)(=O)O)CC2=CC=CC=C2)O)O)O)CO

Isomeric SMILES

C1C(C(C(C(C1S/C(=N\OS(=O)(=O)O)/CC2=CC=CC=C2)O)O)O)CO

InChI

InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-