Benzoic acid,4-nitro-2-sulfo-, potassium salt (1:1) (5344-48-9)

The 2-Carboxy-5-nitrobenzenesulfonic acid potassium salt is an organic compound with the formula C₇H₄KNO₇S. The IUPAC name of this chemical is potassium 4-nitro-2-sulfobenzoic acid. With the CAS registry number 5344-48-9, it is also named as Benzoic acid, 4-nitro-2-sulfo-, monopotassium salt. It is light yellow powder which is used as pharmaceutical intermediate.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 148.7 ?2; (5)Rotatable Bond Count: 3; (6)Exact Mass: 285.942379; (7)MonoIsotopic Mass: 285.942379; (8)Topological Polar Surface Area: 146; (9)Heavy Atom Count: 17; (10)Formal Charge: 1; (11)Complexity: 403; (12)Covalently-Bonded Unit Count: 2.

People can use the following data to convert to the molecule structure.
1. SMILES:[K+].O=S(O)(=O)c1cc(ccc1C([O-])=O)[N+]([O-])=O
2. InChI:InChI=1/C7H5NO7S.K/c9-7(10)5-2-1-4(8(11)12)3-6(5)16(13,14)15;/h1-3H,(H,9,10)(H,13,14,15);/q;+1/p-1
3. InChIKey:ZJVMUAMBOGFWRS-REWHXWOFAN