2-(4-aminophenyl)-6-(hydroxymethyl)-2-sulfanyl-oxane-3,4,5-triol

Systemtic Name: 2-(4-aminophenyl)-6-(hydroxymethyl)-2-sulfanyl-oxane-3,4,5-triol Openeye Name: 2-(4-aminophenyl)-6-(hydroxymethyl)-2-sulfanyl-tetrahydropyran-3,4,5-triol CAS Name: 2-(4-aminophenyl)-6-(hydroxymethyl)-2-mercaptooxane-3,4,5-triol IUPAC Name: 2-(4-aminophenyl)-6-(hydroxymethyl)-2-sulfanyloxane-3,4,5-triol Traditional Name: 2-(4-aminophenyl)-2-mercapto-6-methylol-tetrahydropyran-3,4,5-triol Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2(C(C(C(C(O2)CO)O)O)O)S)N

Isomeric SMILES

C1=CC(=CC=C1C2(C(C(C(C(O2)CO)O)O)O)S)N

InChI

InChI=1S/C12H17NO5S/c13-7-3-1-6(2-4-7)12(19)11(17)10(16)9(15)8(5-14)18-12/h1-4,8-11,14-17,19H,5,13H2