2-[[3-[2-(diphenylmethyl)sulfinylethyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[2-(diphenylmethyl)sulfinylethyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[[3-(2-benzhydrylsulfinylethyl)-2,3-dihydrobenzofuran-7-yl]oxy]acetic acid CAS Name: 2-[[3-[2-(diphenylmethyl)sulfinylethyl]-2,3-dihydrobenzofuran-7-yl]oxy]acetic acid IUPAC Name: 2-[[3-(2-benzhydrylsulfinylethyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-(2-benzhydrylsulfinylethyl)coumaran-7-yl]oxyacetic acid Formula: C25H24O5S MolecularWeight: 436.52006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C(=CC=C2)OCC(=O)O)CCS(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(C2=C(O1)C(=CC=C2)OCC(=O)O)CCS(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24O5S/c26-23(27)17-29-22-13-7-12-21-20(16-30-24(21)22)14-15-31(28)25(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,20,25H,14-17H2,(H,26,27)