3-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxypropanoic acid

Systemtic Name: 3-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxypropanoic acid Openeye Name: 3-[2,2,2-trichloro-1-(nitromethyl)ethoxy]propanoic acid CAS Name: 3-(1,1,1-trichloro-3-nitropropan-2-yl)oxypropanoic acid IUPAC Name: 3-(1,1,1-trichloro-3-nitropropan-2-yl)oxypropanoic acid Traditional Name: 3-[2,2,2-trichloro-1-(nitromethyl)ethoxy]propionic acid Formula: C6H8Cl3NO5 MolecularWeight: 280.49042

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Descriptors Computed from Structure

Canonical SMILES:

C(COC(C[N+](=O)[O-])C(Cl)(Cl)Cl)C(=O)O

Isomeric SMILES

C(COC(C[N+](=O)[O-])C(Cl)(Cl)Cl)C(=O)O

InChI

InChI=1S/C6H8Cl3NO5/c7-6(8,9)4(3-10(13)14)15-2-1-5(11)12/h4H,1-3H2,(H,11,12)