2-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxybenzenecarbothioamide

Systemtic Name: 2-[6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxybenzenecarbothioamide Openeye Name: 2-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]oxybenzenecarbothioamide CAS Name: 2-[[2,4,5-trihydroxy-6-(hydroxymethyl)-3-oxanyl]oxy]benzenecarbothioamide IUPAC Name: 2-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxybenzenecarbothioamide Traditional Name: 2-(2,4,5-trihydroxy-6-methylol-tetrahydropyran-3-yl)oxythiobenzamide Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=S)N)OC2C(C(C(OC2O)CO)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=S)N)OC2C(C(C(OC2O)CO)O)O

InChI

InChI=1S/C13H17NO6S/c14-12(21)6-3-1-2-4-7(6)19-11-10(17)9(16)8(5-15)20-13(11)18/h1-4,8-11,13,15-18H,5H2,(H2,14,21)