Direct Black 80

The 2-Naphthalenesulfonicacid, 6-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[2-[4-amino-6(or7)-sulfo-1-naphthalenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3), with the CAS registry number 8003-69-8, is also known as Direct Black 80. It belongs to the product categorie of Organics. Its EINECS registry number is 232-322-4. This chemical's molecular formula is C₃₆H₂₃N₈O₁₁S₃Na and molecular weight is 908.791.What's more, its IUPAC name is trisodium (3Z)-6-amino-3-[[(7Z)-7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]hydrazinylidene]-8-oxo-6-sulfonatonaphthalen-2-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate. Direct Black 80 is an azodark blue to black powder compound, and explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. Direct Black 80 is incompatible with oxidizing and reducing agents. When heated to decomposition it emits toxic fumes of nitrogen oxides.

Physical properties about DirectblackOB are: (1)#H bond acceptors: 19; (2)#H bond donors: 9; (3)#Freely Rotating Bonds: 13; (4)Polar Surface Area: 363.4 Å².

You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc7c(cc1)c(N)ccc7/N=N\c2ccc(cc2)/N=N/c4c(cc3ccc(cc3c4O)\N=N/c6c(cc5ccc(N)cc5c6O)S([O-])(=O)=O)S([O-])(=O)=O
(2)InChI:InChI=1S/C36H26N8O11S3.3Na/c37-20-3-1-18-13-31(57(50,51)52)33(35(45)26(18)15-20)44-41-23-4-2-19-14-32(58(53,54)55)34(36(46)27(19)16-23)43-40-22-7-5-21(6-8-22)39-42-30-12-11-29(38)25-10-9-24(17-28(25)30)56(47,48)49;;;/h1-17,45-46H,37-38H2,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b42-39-,43-40+,44-41-
(3)InChIKey: ZHFRUBUQJRJWPO-QAUIOTGMBQ