2-[4-bromanyl-2-(diphenylphosphorylmethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-bromanyl-2-(diphenylphosphorylmethyl)phenoxy]ethanoic acid Openeye Name: 2-[4-bromo-2-(diphenylphosphorylmethyl)phenoxy]acetic acid CAS Name: 2-[4-bromo-2-(diphenylphosphorylmethyl)phenoxy]acetic acid IUPAC Name: 2-[4-bromo-2-(diphenylphosphorylmethyl)phenoxy]acetic acid Traditional Name: 2-[4-bromo-2-(diphenylphosphorylmethyl)phenoxy]acetic acid Formula: C21H18BrO4P MolecularWeight: 445.242981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(=O)(CC2=C(C=CC(=C2)Br)OCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)P(=O)(CC2=C(C=CC(=C2)Br)OCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H18BrO4P/c22-17-11-12-20(26-14-21(23)24)16(13-17)15-27(25,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-13H,14-15H2,(H,23,24)