2-[5-(2-bromanyl-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoic acid

Systemtic Name: 2-[5-(2-bromanyl-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoic acid Openeye Name: 2-[5-(2-bromo-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoic acid CAS Name: 2-[5-(2-bromo-4-nitrophenoxy)-2-(methylthio)phenoxy]propanoic acid IUPAC Name: 2-[5-(2-bromo-4-nitrophenoxy)-2-methylsulfanylphenoxy]propanoic acid Traditional Name: 2-[5-(2-bromo-4-nitro-phenoxy)-2-(methylthio)phenoxy]propionic acid Formula: C16H14BrNO6S MolecularWeight: 428.25446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Br)SC

Isomeric SMILES

CC(C(=O)O)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Br)SC

InChI

InChI=1S/C16H14BrNO6S/c1-9(16(19)20)23-14-8-11(4-6-15(14)25-2)24-13-5-3-10(18(21)22)7-12(13)17/h3-9H,1-2H3,(H,19,20)