4-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxybutanoic acid

Systemtic Name: 4-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxybutanoic acid Openeye Name: 4-[2,2,2-trichloro-1-(nitromethyl)ethoxy]butanoic acid CAS Name: 4-(1,1,1-trichloro-3-nitropropan-2-yl)oxybutanoic acid IUPAC Name: 4-(1,1,1-trichloro-3-nitropropan-2-yl)oxybutanoic acid Traditional Name: 4-[2,2,2-trichloro-1-(nitromethyl)ethoxy]butyric acid Formula: C7H10Cl3NO5 MolecularWeight: 294.517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10Cl3NO5/c8-7(9,10)5(4-11(14)15)16-3-1-2-6(12)13/h5H,1-4H2,(H,12,13)