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

Systemtic Name: 3-[1,1,1-tris(chloranyl)-3-nitro-propan-2-yl]oxypropylbenzene Openeye Name: 3-[2,2,2-trichloro-1-(nitromethyl)ethoxy]propylbenzene CAS Name: 3-(1,1,1-trichloro-3-nitropropan-2-yl)oxypropylbenzene IUPAC Name: 3-(1,1,1-trichloro-3-nitropropan-2-yl)oxypropylbenzene Traditional Name: 3-[2,2,2-trichloro-1-(nitromethyl)ethoxy]propylbenzene Formula: C12H14Cl3NO3 MolecularWeight: 326.60346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl3NO3/c13-12(14,15)11(9-16(17)18)19-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2