2-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-bis(bromanyl)-4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenoxy]ethanoic acid Openeye Name: 2-[2,6-dibromo-4-(2-butylbenzofuran-3-carbonyl)phenoxy]acetic acid CAS Name: 2-[2,6-dibromo-4-[(2-butyl-3-benzofuranyl)-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-dibromo-4-(2-butyl-1-benzofuran-3-carbonyl)phenoxy]acetic acid Traditional Name: 2-[2,6-dibromo-4-(2-butylbenzofuran-3-carbonyl)phenoxy]acetic acid Formula: C21H18Br2O5 MolecularWeight: 510.17262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)OCC(=O)O)Br

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)OCC(=O)O)Br

InChI

InChI=1S/C21H18Br2O5/c1-2-3-7-17-19(13-6-4-5-8-16(13)28-17)20(26)12-9-14(22)21(15(23)10-12)27-11-18(24)25/h4-6,8-10H,2-3,7,11H2,1H3,(H,24,25)