sodium 3-(2-phenylpropan-2-yl)benzenesulfonate

Systemtic Name: sodium 3-(2-phenylpropan-2-yl)benzenesulfonate Openeye Name: sodium 3-(1-methyl-1-phenyl-ethyl)benzenesulfonate CAS Name: sodium 3-(2-phenylpropan-2-yl)benzenesulfonate IUPAC Name: sodium 3-(2-phenylpropan-2-yl)benzenesulfonate Traditional Name: sodium 3-cumylbesylate Formula: C15H15NaO3S MolecularWeight: 298.33257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H16O3S.Na/c1-15(2,12-7-4-3-5-8-12)13-9-6-10-14(11-13)19(16,17)18;/h3-11H,1-2H3,(H,16,17,18);/q;+1/p-1