The Benzoic acid, 3-sulfo-, with the CAS registry number 121-53-9 and EINECS registry number 204-478-3, has the systematic name and IUPAC name of 3-sulfobenzoic acid. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₆O₅S.

The characteristics of Benzoic acid, 3-sulfo- are as followings: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.86; (4)ACD/LogD (pH 7.4): -3.95; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.05 Å²; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 43.37 cm³; (15)Molar Volume: 124.7 cm³; (16)Polarizability: 17.19×10^-24cm³; (17)Surface Tension: 69.9 dyne/cm; (18)Density: 1.62 g/cm³.  

Uses of Benzoic acid, 3-sulfo-: It can react with 1-diazo-2-pentanone to produce 3-(2-oxo-pentyloxysulfonyl)-benzoic acid. This reaction will need reagent diethyl ether. And the yield is about 60%.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(C(=O)O)ccc1
(2)InChI: InChI=1/C7H6O5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
(3)InChIKey: QMWGSOMVXSRXQX-UHFFFAOYAA