2-[[3-[4-(diphenylmethyl)sulfanyl-1-oxidanyl-butan-2-yl]-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[4-(diphenylmethyl)sulfanyl-1-oxidanyl-butan-2-yl]-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[3-[3-benzhydrylsulfanyl-1-(hydroxymethyl)propyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[3-[4-[(diphenylmethyl)thio]-1-hydroxybutan-2-yl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-(4-benzhydrylsulfanyl-1-hydroxybutan-2-yl)-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[3-(benzhydrylthio)-1-methylol-propyl]benzofuran-7-yl]oxyacetic acid Formula: C27H26O5S MolecularWeight: 462.55734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCC(CO)C3=COC4=C3C=CC=C4OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCC(CO)C3=COC4=C3C=CC=C4OCC(=O)O

InChI

InChI=1S/C27H26O5S/c28-16-21(23-17-32-26-22(23)12-7-13-24(26)31-18-25(29)30)14-15-33-27(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,17,21,27-28H,14-16,18H2,(H,29,30)