[6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-sulfanyl-oxan-3-yl] benzoate

Systemtic Name: [6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-sulfanyl-oxan-3-yl] benzoate Openeye Name: [4,5-dihydroxy-6-(hydroxymethyl)-2-sulfanyl-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4,5-dihydroxy-6-(hydroxymethyl)-2-mercapto-3-oxanyl] ester IUPAC Name: [4,5-dihydroxy-6-(hydroxymethyl)-2-sulfanyloxan-3-yl] benzoate Traditional Name: benzoic acid (4,5-dihydroxy-2-mercapto-6-methylol-tetrahydropyran-3-yl) ester Formula: C13H16O6S MolecularWeight: 300.32754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2C(C(C(OC2S)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2C(C(C(OC2S)CO)O)O

InChI

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