sodium 2-oxidanyl-6-(2,4,4-trimethylpentan-2-yl)benzenesulfonate

Systemtic Name: sodium 2-oxidanyl-6-(2,4,4-trimethylpentan-2-yl)benzenesulfonate Openeye Name: sodium 2-hydroxy-6-(1,1,3,3-tetramethylbutyl)benzenesulfonate CAS Name: sodium 2-hydroxy-6-(2,4,4-trimethylpentan-2-yl)benzenesulfonate IUPAC Name: sodium 2-hydroxy-6-(2,4,4-trimethylpentan-2-yl)benzenesulfonate Traditional Name: sodium 2-hydroxy-6-(1,1,3,3-tetramethylbutyl)besylate Formula: C14H21NaO4S MolecularWeight: 308.36891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S.Na/c1-13(2,3)9-14(4,5)10-7-6-8-11(15)12(10)19(16,17)18;/h6-8,15H,9H2,1-5H3,(H,16,17,18);/q;+1/p-1