azanium methylbenzene sulfate

Systemtic Name: azanium methylbenzene sulfate Openeye Name: ammonium toluene sulfate CAS Name: ammonium toluene sulfate IUPAC Name: azanium toluene sulfate Traditional Name: ammonium toluene sulfate Formula: C7H12NO4S- MolecularWeight: 206.23948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.H3N.H2O4S/c1-7-5-3-2-4-6-7;;1-5(2,3)4/h2-6H,1H3;1H3;(H2,1,2,3,4)/p-1