2-[[4-(1-hydroxyethyl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxy-thiane-3,4,5-triol

Systemtic Name: 2-[[4-(1-hydroxyethyl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxy-thiane-3,4,5-triol Openeye Name: 2-[[4-(1-hydroxyethyl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxy-tetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[4-(1-hydroxyethyl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxythiane-3,4,5-triol IUPAC Name: 2-[[4-(1-hydroxyethyl)phenyl]methyl]-6-(hydroxymethyl)-2-phenoxythiane-3,4,5-triol Traditional Name: 2-[4-(1-hydroxyethyl)benzyl]-6-methylol-2-phenoxy-tetrahydrothiopyran-3,4,5-triol Formula: C21H26O6S MolecularWeight: 406.49254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CC2(C(C(C(C(S2)CO)O)O)O)OC3=CC=CC=C3)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CC2(C(C(C(C(S2)CO)O)O)O)OC3=CC=CC=C3)O

InChI

InChI=1S/C21H26O6S/c1-13(23)15-9-7-14(8-10-15)11-21(27-16-5-3-2-4-6-16)20(26)19(25)18(24)17(12-22)28-21/h2-10,13,17-20,22-26H,11-12H2,1H3