nitrobenzene; pentane; 1,1,1-tris(chloranyl)ethane

Systemtic Name: nitrobenzene; pentane; 1,1,1-tris(chloranyl)ethane Openeye Name: nitrobenzene; pentane; 1,1,1-trichloroethane CAS Name: nitrobenzene; pentane; 1,1,1-trichloroethane IUPAC Name: nitrobenzene; pentane; 1,1,1-trichloroethane Traditional Name: nitrobenzene; n-pentane; 1,1,1-trichloroethane Formula: C13H20Cl3NO2 MolecularWeight: 328.6624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5NO2.C5H12.C2H3Cl3/c8-7(9)6-4-2-1-3-5-6;1-3-5-4-2;1-2(3,4)5/h1-5H;3-5H2,1-2H3;1H3