1,1'-biphenyl; 2-[[3-(3-methylsulfanylpropyl)-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 1,1'-biphenyl; 2-[[3-(3-methylsulfanylpropyl)-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: biphenyl; 2-[3-(3-methylsulfanylpropyl)benzofuran-7-yl]oxyacetic acid CAS Name: 1,1'-biphenyl; 2-[[3-[3-(methylthio)propyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 1,1'-biphenyl; 2-[[3-(3-methylsulfanylpropyl)-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: biphenyl; 2-[3-[3-(methylthio)propyl]benzofuran-7-yl]oxyacetic acid Formula: C26H26O4S MolecularWeight: 434.54724

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC1=COC2=C1C=CC=C2OCC(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CSCCCC1=COC2=C1C=CC=C2OCC(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H16O4S.C12H10/c1-19-7-3-4-10-8-18-14-11(10)5-2-6-12(14)17-9-13(15)16;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2,5-6,8H,3-4,7,9H2,1H3,(H,15,16);1-10H