dimethyl phosphate; (4-nitrophenyl)methyl 2,3-bis(bromanyl)-3-oxidanyl-butanoate

Systemtic Name: dimethyl phosphate; (4-nitrophenyl)methyl 2,3-bis(bromanyl)-3-oxidanyl-butanoate Openeye Name: dimethyl phosphate; (4-nitrophenyl)methyl 2,3-dibromo-3-hydroxy-butanoate CAS Name: 2,3-dibromo-3-hydroxybutanoic acid (4-nitrophenyl)methyl ester; dimethyl phosphate IUPAC Name: dimethyl phosphate; (4-nitrophenyl)methyl 2,3-dibromo-3-hydroxybutanoate Traditional Name: 2,3-dibromo-3-hydroxy-butyric acid (4-nitrobenzyl) ester; dimethyl phosphate Formula: C13H17Br2NO9P- MolecularWeight: 522.057141

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br)(O)Br.COP(=O)([O-])OC

Isomeric SMILES

CC(C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])Br)(O)Br.COP(=O)([O-])OC

InChI

InChI=1S/C11H11Br2NO5.C2H7O4P/c1-11(13,16)9(12)10(15)19-6-7-2-4-8(5-3-7)14(17)18;1-5-7(3,4)6-2/h2-5,9,16H,6H2,1H3;1-2H3,(H,3,4)/p-1