1,3,5-Naphthalenetrisulfonicacid (6654-64-4)

The Naphthalene-1,3,5-trisulphonic acid with the cas number 6654-64-4 is also called 1,3,5-Naphthalenetrisulfonicacid. Its EINECS registry number is 229-679-3. The molecular formula is C₁₀H₈O₉S₃. This chemical belongs to the following product categories: (1)Intermediates of Dyes and Pigments; (2)Organic acids.

The properties of the chemical are: (1)ACD/LogP: -0.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.28; (4)ACD/LogD (pH 7.4): -6.28; (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: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 155.25 Å²; (13)Index of Refraction: 1.714; (14)Molar Refractivity: 75.35 cm³; (15)Molar Volume: 191.8 cm³; (16)Polarizability: 29.87×10^-24cm³; (17)Surface Tension: 92.4 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1c2c(ccc1)c(cc(c2)S(=O)(=O)O)S(=O)(=O)O
(2)InChI: InChI=1/C10H8O9S3/c11-20(12,13)6-4-8-7(10(5-6)22(17,18)19)2-1-3-9(8)21(14,15)16/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)
(3)InChIKey: INMHJULHWVWVFN-UHFFFAOYAM