2,2,2-tris(chloranyl)ethyl 3-(2-methoxy-4,5-dinitro-phenoxy)propanoate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 3-(2-methoxy-4,5-dinitro-phenoxy)propanoate Openeye Name: 2,2,2-trichloroethyl 3-(2-methoxy-4,5-dinitro-phenoxy)propanoate CAS Name: 3-(2-methoxy-4,5-dinitrophenoxy)propanoic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 3-(2-methoxy-4,5-dinitrophenoxy)propanoate Traditional Name: 3-(2-methoxy-4,5-dinitro-phenoxy)propionic acid 2,2,2-trichloroethyl ester Formula: C12H11Cl3N2O8 MolecularWeight: 417.58334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])OCCC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])OCCC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C12H11Cl3N2O8/c1-23-9-4-7(16(19)20)8(17(21)22)5-10(9)24-3-2-11(18)25-6-12(13,14)15/h4-5H,2-3,6H2,1H3