THORIN

The 2,7-Naphthalenedisulfonicacid, 4-[2-(2-arsonophenyl)diazenyl]-3-hydroxy-, sodium salt (1:2), with the CAS registry number 3688-92-4 and EINECS registry number 205-058-2, is a kind of red to red-brown powder, and belongs to the following product categories: Analytical Chemistry; As (Arsenic) Compounds; Azo Compounds; Chelating Reagents; Classes of Metal Compounds; Naphthylazo Compounds; Semimetal Compounds. And the molecular formula of the chemical is C₁₆H₁₁AsN₂Na₂O₁₀S₂.

The characteristics of 2,7-Naphthalenedisulfonicacid, 4-[2-(2-arsonophenyl)diazenyl]-3-hydroxy-, sodium salt (1:2) are as followings: (1)H-Bond Donor 3; (2)H-Bond Acceptor 12; (3)Rotatable Bond Count 3; (4)Tautomer Count 3; (5)Exact Mass 575.886647; (6)MonoIsotopic Mass 575.886647; (7)Topological Polar Surface Area 230; (8)Heavy Atom Count 33; (9)Formal Charge 0; (10)Complexity 1020; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 0; (14)Defined Bond StereoCenter Count 1; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 3.  

You should be cautious while dealing with this chemical. It is toxic by inhalation and if swallowed, and it is also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: When using, do not eat, drink or smoke; After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[Na+].O[As](O)(=O)c3ccccc3/N=N/c1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O
(2)InChI: InChI=1/C16H13AsN2O10S2.2Na/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23;;/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b19-18+;;
(3)InChIKey: DCSRPHQBFSYJNN-GJLVVKPQBS