4-Hydroxy-3-Nitro-Benzenesulfonic Acid
[CAS# 6313-34-4]

Identification

• Name: 4-Hydroxy-3-Nitro-Benzenesulfonic Acid
• Synonyms: 4-Hydroxy-3-Nitro-Benzenesulfonic Acid; Sodium; Nsc39865
• Molecular Formula: C₆H₅NNaO₆S
• Molecular Weight: 242.16
• CAS Registry Number: 6313-34-4
• SMILES: [Na].C1=C(C(=CC=C1[S](=O)(=O)O)O)[N+](=O)[O-]
• InChI: 1S/C6H5NO6S.Na/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;/h1-3,8H,(H,11,12,13)
• InChIKey: NUKXLNQAFLTZNQ-UHFFFAOYSA-N

References

• (1): P. J. Squattrito. Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate, Acta Cryst. (1995). C51, 1282-1284