azanium 3-propan-2-ylbenzenesulfonate

Systemtic Name: azanium 3-propan-2-ylbenzenesulfonate Openeye Name: ammonium 3-isopropylbenzenesulfonate CAS Name: ammonium 3-propan-2-ylbenzenesulfonate IUPAC Name: azanium 3-propan-2-ylbenzenesulfonate Traditional Name: ammonium 3-isopropylbesylate Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.H3N/c1-7(2)8-4-3-5-9(6-8)13(10,11)12;/h3-7H,1-2H3,(H,10,11,12);1H3