The 2-Hydroxy-4-nitro-1-sulfooxy-benzene has CAS registry number 31390-65-5. Its molecular formula is C₆H₅NO₇S and molecular weight is 235.171400. What's more, its IUPAC name is (2-Hydroxy-4-nitrophenyl) hydrogen sulfate.

Physical properties about the 2-Hydroxy-4-nitro-1-sulfooxy-benzene are: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.26; (4)ACD/LogD (pH 7.4): -2.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 116.03 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 46.4 cm³; (15)Molar Volume: 125.7 cm³; (16)Surface Tension: 96.9 dyne/cm; (17)Density: 1.87 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(Oc1ccc(cc1O)[N+]([O-])=O)O
(2) InChI: InChI=1/C6H5NO7S/c8-5-3-4(7(9)10)1-2-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13)
(3) InChIKey: ZVUSRLPQGXIZPO-UHFFFAOYAP