alpha-(2-Oxopropyl)Benzenemethanesulfonic Acid Sodium Salt
[CAS# 70776-60-2]

Identification

• Name: alpha-(2-Oxopropyl)Benzenemethanesulfonic Acid Sodium Salt
• Synonyms: Sodium 3-Oxo-1-Phenyl-Butane-1-Sulfonate; Sodium 3-Keto-1-Phenyl-Butane-1-Sulfonate; 4-Phenyl-4-Sulfobutane-2-One, Sodium Salt
• Molecular Formula: C₁₀H₁₁NaO₄S
• Molecular Weight: 250.24
• CAS Registry Number: 70776-60-2
• SMILES: C1=C(C(CC(C)=O)[S](=O)(=O)[O-])C=CC=C1.[Na+]
• InChI: 1S/C10H12O4S.Na/c1-8(11)7-10(15(12,13)14)9-5-3-2-4-6-9;/h2-6,10H,7H2,1H3,(H,12,13,14);/q;+1/p-1
• InChIKey: QXVYLRMFQDBPPP-UHFFFAOYSA-M