2-propan-2-ylbenzenesulfonate; tris(2-hydroxyethyl)azanium

Systemtic Name: 2-propan-2-ylbenzenesulfonate; tris(2-hydroxyethyl)azanium Openeye Name: 2-isopropylbenzenesulfonate; tris(2-hydroxyethyl)ammonium CAS Name: 2-propan-2-ylbenzenesulfonate; tris(2-hydroxyethyl)ammonium IUPAC Name: 2-propan-2-ylbenzenesulfonate; tris(2-hydroxyethyl)azanium Traditional Name: 2-isopropylbesylate; tris(2-hydroxyethyl)ammonium Formula: C15H27NO6S MolecularWeight: 349.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1S(=O)(=O)[O-].C(CO)[NH+](CCO)CCO

Isomeric SMILES

CC(C)C1=CC=CC=C1S(=O)(=O)[O-].C(CO)[NH+](CCO)CCO

InChI

InChI=1S/C9H12O3S.C6H15NO3/c1-7(2)8-5-3-4-6-9(8)13(10,11)12;8-4-1-7(2-5-9)3-6-10/h3-7H,1-2H3,(H,10,11,12);8-10H,1-6H2