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

Systemtic Name: 1-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxybutylbenzene Openeye Name: 1-[2,2,2-trichloro-1-(nitromethyl)ethoxy]butylbenzene CAS Name: 1-(1,1,1-trichloro-3-nitropropan-2-yl)oxybutylbenzene IUPAC Name: 1-(1,1,1-trichloro-3-nitropropan-2-yl)oxybutylbenzene Traditional Name: 1-[2,2,2-trichloro-1-(nitromethyl)ethoxy]butylbenzene Formula: C13H16Cl3NO3 MolecularWeight: 340.63004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)OC(C[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CCCC(C1=CC=CC=C1)OC(C[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C13H16Cl3NO3/c1-2-6-11(10-7-4-3-5-8-10)20-12(9-17(18)19)13(14,15)16/h3-5,7-8,11-12H,2,6,9H2,1H3