3-[4-(1-benzothiophen-3-ylsulfanyl)-3-(4-hydroxyphenyl)-5-oxidanyl-phenoxy]propane-1,2-diol

Systemtic Name: 3-[4-(1-benzothiophen-3-ylsulfanyl)-3-(4-hydroxyphenyl)-5-oxidanyl-phenoxy]propane-1,2-diol Openeye Name: 3-[4-(benzothiophen-3-ylsulfanyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]propane-1,2-diol CAS Name: 3-[4-(1-benzothiophen-3-ylthio)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]propane-1,2-diol IUPAC Name: 3-[4-(1-benzothiophen-3-ylsulfanyl)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]propane-1,2-diol Traditional Name: 3-[4-(benzothiophen-3-ylthio)-3-hydroxy-5-(4-hydroxyphenyl)phenoxy]propane-1,2-diol Formula: C23H20O5S2 MolecularWeight: 440.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)SC3=C(C=C(C=C3C4=CC=C(C=C4)O)OCC(CO)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)SC3=C(C=C(C=C3C4=CC=C(C=C4)O)OCC(CO)O)O

InChI

InChI=1S/C23H20O5S2/c24-11-16(26)12-28-17-9-19(14-5-7-15(25)8-6-14)23(20(27)10-17)30-22-13-29-21-4-2-1-3-18(21)22/h1-10,13,16,24-27H,11-12H2