sodium 2-(2,4,4-trimethylpentan-2-yl)benzenesulfonate

Systemtic Name: sodium 2-(2,4,4-trimethylpentan-2-yl)benzenesulfonate Openeye Name: sodium 2-(1,1,3,3-tetramethylbutyl)benzenesulfonate CAS Name: sodium 2-(2,4,4-trimethylpentan-2-yl)benzenesulfonate IUPAC Name: sodium 2-(2,4,4-trimethylpentan-2-yl)benzenesulfonate Traditional Name: sodium 2-(1,1,3,3-tetramethylbutyl)besylate Formula: C14H21NaO3S MolecularWeight: 292.36951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S.Na/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)18(15,16)17;/h6-9H,10H2,1-5H3,(H,15,16,17);/q;+1/p-1