Sodium 4-(3,5,5-Trimethylhexanoyloxy)Benzenesulfonate
[CAS# 94612-91-6]

Identification

• Name: Sodium 4-(3,5,5-Trimethylhexanoyloxy)Benzenesulfonate
• Synonyms: Sodium 4-(3,5,5-Trimethyl-1-Oxohexoxy)Benzenesulfonate; 4-(2,4,4-Trimethylpentylcarbonyloxy)Benzenesulfonate De Sodium [French]; 4-(2,4,4-Trimetilpentilcarbonilossi)Benzensolfonato Di Sodio [Italian]
• Molecular Formula: C₁₅H₂₁NaO₅S
• Molecular Weight: 336.38
• CAS Registry Number: 94612-91-6
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1)OC(=O)CC(CC(C)(C)C)C.[Na+]
• InChI: 1S/C15H22O5S.Na/c1-11(10-15(2,3)4)9-14(16)20-12-5-7-13(8-6-12)21(17,18)19;/h5-8,11H,9-10H2,1-4H3,(H,17,18,19);/q;+1/p-1
• InChIKey: GSYPNDDXWAZDJB-UHFFFAOYSA-M