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

Systemtic Name: [6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-2-phenyl-N-sulfooxy-ethanimidothioate Openeye Name: [3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-2-phenyl-N-sulfooxy-ethanimidothioate CAS Name: (1E)-2-phenyl-N-sulfooxyethanimidothioic acid [3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-phenyl-N-sulfooxyethanimidothioate Traditional Name: (1E)-2-phenyl-N-sulfoxy-thioacetimidic acid (3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C14H19NO9S2 MolecularWeight: 409.43196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C/C(=N\OS(=O)(=O)O)/SC2C(C(C(C(O2)CO)O)O)O

InChI

InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10+