azanium methylbenzene ethanoate

Systemtic Name: azanium methylbenzene ethanoate Openeye Name: ammonium toluene acetate CAS Name: ammonium toluene acetate IUPAC Name: azanium toluene acetate Traditional Name: ammonium toluene acetate Formula: C9H15NO2 MolecularWeight: 169.2209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(=O)[O-].[NH4+]

Isomeric SMILES

CC1=CC=CC=C1.CC(=O)[O-].[NH4+]

InChI

InChI=1S/C7H8.C2H4O2.H3N/c1-7-5-3-2-4-6-7;1-2(3)4;/h2-6H,1H3;1H3,(H,3,4);1H3