4-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxybutan-2-ol

Systemtic Name: 4-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxybutan-2-ol Openeye Name: 4-[2,2,2-trichloro-1-(nitromethyl)ethoxy]butan-2-ol CAS Name: 4-(1,1,1-trichloro-3-nitropropan-2-yl)oxy-2-butanol IUPAC Name: 4-(1,1,1-trichloro-3-nitropropan-2-yl)oxybutan-2-ol Traditional Name: 4-[2,2,2-trichloro-1-(nitromethyl)ethoxy]butan-2-ol Formula: C7H12Cl3NO4 MolecularWeight: 280.53348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12Cl3NO4/c1-5(12)2-3-15-6(4-11(13)14)7(8,9)10/h5-6,12H,2-4H2,1H3