This chemical is called 2,7-Naphthalenedisulfonicacid, 3,6-bis[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy-, and its CAS registry number is 1668-00-4. With the molecular formula of C22H18As2N4O14S2, its molecular weight is 798.35. Additionally, its classification codes are Coloring Agents; Indicators and reagents.
Other characteristics of the 2,7-Naphthalenedisulfonicacid, 3,6-bis[2-(2-arsonophenyl)diazenyl]-4,5-dihydroxy- can be summarised as followings: (1)# of Rule of 5 Violations: 3; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 18; (7)#H bond donors: 8; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 239.9 Å2.
When you are using this chemical, please be cautious about it as the following: This chemical is toxic by inhalation and if swallowed. When using it, do not eat or drink or smoke. After contacting with skin, wash immediately with plenty of soap-suds. Avoid releasing to the environment. Refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)C=4\C(=N/Nc1ccccc1[As](=O)(O)O)C(=O)\C3=C(\C=C(/C(=N\Nc2ccccc2[As](=O)(O)O)C3=O)S(=O)(=O)O)/C=4
2.InChI: InChI=1/C22H18As2N4O14S2/c29-21-18-11(9-16(43(37,38)39)19(21)27-25-14-7-3-1-5-12(14)23(31,32)33)10-17(44(40,41)42)20(22(18)30)28-26-15-8-4-2-6-13(15)24(34,35)36/h1-10,25-26H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)/b27-19+,28-20+
3.InChIKey: TVMZRHVOFZTNET-MKYUKRCKBK
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