ethyl 2-[5-(2-bromanyl-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoate

Systemtic Name: ethyl 2-[5-(2-bromanyl-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoate Openeye Name: ethyl 2-[5-(2-bromo-4-nitro-phenoxy)-2-methylsulfanyl-phenoxy]propanoate CAS Name: 2-[5-(2-bromo-4-nitrophenoxy)-2-(methylthio)phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-bromo-4-nitrophenoxy)-2-methylsulfanylphenoxy]propanoate Traditional Name: 2-[5-(2-bromo-4-nitro-phenoxy)-2-(methylthio)phenoxy]propionic acid ethyl ester Formula: C18H18BrNO6S MolecularWeight: 456.30762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrNO6S/c1-4-24-18(21)11(2)25-16-10-13(6-8-17(16)27-3)26-15-7-5-12(20(22)23)9-14(15)19/h5-11H,4H2,1-3H3