2-[3-(1-benzothiophen-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Systemtic Name: 2-[3-(1-benzothiophen-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol Openeye Name: 2-[3-(benzothiophen-2-ylmethyl)phenyl]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol CAS Name: 2-[3-(1-benzothiophen-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC Name: 2-[3-(1-benzothiophen-2-ylmethyl)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol Traditional Name: 2-[3-(benzothiophen-2-ylmethyl)phenyl]-6-methylol-tetrahydropyran-3,4,5-triol Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CC3=CC=CC(=C3)C4C(C(C(C(O4)CO)O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CC3=CC=CC(=C3)C4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C21H22O5S/c22-11-16-18(23)19(24)20(25)21(26-16)14-6-3-4-12(8-14)9-15-10-13-5-1-2-7-17(13)27-15/h1-8,10,16,18-25H,9,11H2