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

Systemtic Name: S-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] benzenecarbothioate Openeye Name: S-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester IUPAC Name: S-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl) ester Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6S/c14-6-8-9(15)10(16)11(17)13(19-8)20-12(18)7-4-2-1-3-5-7/h1-5,8-11,13-17H,6H2