ethanol; (4-methylphenyl)-(trichloromethyl)azanium; ethanoate

Systemtic Name: ethanol; (4-methylphenyl)-(trichloromethyl)azanium; ethanoate Openeye Name: ethanol; p-tolyl(trichloromethyl)ammonium; acetate CAS Name: ethanol; (4-methylphenyl)-(trichloromethyl)ammonium; acetate IUPAC Name: ethanol; (4-methylphenyl)-(trichloromethyl)azanium; acetate Traditional Name: ethanol; p-tolyl(trichloromethyl)ammonium; acetate Formula: C12H18Cl3NO3 MolecularWeight: 330.63522

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CC1=CC=C(C=C1)[NH2+]C(Cl)(Cl)Cl.CC(=O)[O-]

Isomeric SMILES

CCO.CC1=CC=C(C=C1)[NH2+]C(Cl)(Cl)Cl.CC(=O)[O-]

InChI

InChI=1S/C8H8Cl3N.C2H4O2.C2H6O/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-2(3)4;1-2-3/h2-5,12H,1H3;1H3,(H,3,4);3H,2H2,1H3