2-bromanyl-2-[2-bromanyl-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-bromanyl-2-[2-bromanyl-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]ethanoic acid Openeye Name: 2-bromo-2-[2-bromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]acetic acid CAS Name: 2-bromo-2-[2-bromo-4-[(2-butyl-3-benzofuranyl)methyl]phenoxy]acetic acid IUPAC Name: 2-bromo-2-[2-bromo-4-[(2-butyl-1-benzofuran-3-yl)methyl]phenoxy]acetic acid Traditional Name: 2-bromo-2-[2-bromo-4-[(2-butylbenzofuran-3-yl)methyl]phenoxy]acetic acid Formula: C21H20Br2O4 MolecularWeight: 496.1891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C=C3)OC(C(=O)O)Br)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)CC3=CC(=C(C=C3)OC(C(=O)O)Br)Br

InChI

InChI=1S/C21H20Br2O4/c1-2-3-7-18-15(14-6-4-5-8-17(14)26-18)11-13-9-10-19(16(22)12-13)27-20(23)21(24)25/h4-6,8-10,12,20H,2-3,7,11H2,1H3,(H,24,25)