Sodium 4-Nitrotoluene-2-Sulphonate
[CAS# 5258-64-0]

Identification

• Name: Sodium 4-Nitrotoluene-2-Sulphonate
• Synonyms: Sodium 2-Methyl-5-Nitro-Benzenesulfonate; Sodium 4-Nitrotoluene-2-Sulphonate; 4-Nitro-2-Toluenesulfonic Acid, Sodium Salt
• Molecular Formula: C₇H₆NNaO₅S
• Molecular Weight: 239.18
• CAS Registry Number: 5258-64-0
• EINECS: 226-062-0
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1[N+]([O-])=O)C.[Na+]
• InChI: 1S/C7H7NO5S.Na/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1
• InChIKey: DAKNGKGXAIKYKW-UHFFFAOYSA-M