sodium 2-propan-2-ylbenzenesulfonate

Systemtic Name: sodium 2-propan-2-ylbenzenesulfonate Openeye Name: sodium 2-isopropylbenzenesulfonate CAS Name: sodium 2-propan-2-ylbenzenesulfonate IUPAC Name: sodium 2-propan-2-ylbenzenesulfonate Traditional Name: sodium 2-isopropylbesylate Formula: C9H11NaO3S MolecularWeight: 222.23661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=CC=CC=C1S(=O)(=O)[O-].[Na+]

InChI

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