sodium 2-phenylpropane-2-sulfonate sulfate

Systemtic Name: sodium 2-phenylpropane-2-sulfonate sulfate Openeye Name: sodium 2-phenylpropane-2-sulfonate sulfate CAS Name: sodium 2-phenyl-2-propanesulfonate sulfate IUPAC Name: sodium 2-phenylpropane-2-sulfonate sulfate Traditional Name: sodium 2-phenylpropane-2-sulfonate sulfate Formula: C9H11NaO7S2-2 MolecularWeight: 318.29921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3S.Na.H2O4S/c1-9(2,13(10,11)12)8-6-4-3-5-7-8;;1-5(2,3)4/h3-7H,1-2H3,(H,10,11,12);;(H2,1,2,3,4)/q;+1;/p-3