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

Systemtic Name: 1,1'-biphenyl; 2-[[3-(methylsulfanylmethyl)-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: biphenyl; 2-[3-(methylsulfanylmethyl)benzofuran-7-yl]oxyacetic acid CAS Name: 1,1'-biphenyl; 2-[[3-[(methylthio)methyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 1,1'-biphenyl; 2-[[3-(methylsulfanylmethyl)-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: biphenyl; 2-[3-[(methylthio)methyl]benzofuran-7-yl]oxyacetic acid Formula: C24H22O4S MolecularWeight: 406.49408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=COC2=C1C=CC=C2OCC(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CSCC1=COC2=C1C=CC=C2OCC(=O)O.C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H12O4S.C12H10/c1-17-7-8-5-16-12-9(8)3-2-4-10(12)15-6-11(13)14;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2-5H,6-7H2,1H3,(H,13,14);1-10H