2-[[3-[2-(diphenylmethyl)sulfanylethyl]-2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]ethanoate

Systemtic Name: 2-[[3-[2-(diphenylmethyl)sulfanylethyl]-2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]ethanoate Openeye Name: 2-[3-(2-benzhydrylsulfanylethyl)-2-(hydroxymethyl)benzofuran-7-yl]oxyacetate CAS Name: 2-[[3-[2-[(diphenylmethyl)thio]ethyl]-2-(hydroxymethyl)-7-benzofuranyl]oxy]acetate IUPAC Name: 2-[[3-(2-benzhydrylsulfanylethyl)-2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]acetate Traditional Name: 2-[3-[2-(benzhydrylthio)ethyl]-2-methylol-benzofuran-7-yl]oxyacetate Formula: C26H23O5S- MolecularWeight: 447.52282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCC3=C(OC4=C3C=CC=C4OCC(=O)[O-])CO

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCC3=C(OC4=C3C=CC=C4OCC(=O)[O-])CO

InChI

InChI=1S/C26H24O5S/c27-16-23-20(21-12-7-13-22(25(21)31-23)30-17-24(28)29)14-15-32-26(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,26-27H,14-17H2,(H,28,29)/p-1