basic_info |
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| Product_Name: | 直接黑80 |
| CAS: | 8003-69-8 |
| 中文同义词: | 直接黑80 |
| EnglishSynonyms: | TRISODIUM 6-[(7-AMINO-1-HYDROXY-3-SULPHONATO-2-NAPHTHYL)AZO]-3-[[4-[[4-AMINO-6-SULPHONATONAPHTHYL]AZO]PHENYL]AZO]-4-HYDROXYNAPHTHALENE-2-SULPHONATE ; CI DIRECT BLACK 80 ; DIRECT BLACK 80 |
| pro_mdlNumber: | MFCD00071842 |
| pro_acceptors: | 19 |
| pro_donors: | 4 |
| pro_smile: | c1cc(ccc1/N=N/c2ccc(c3c2ccc(c3)S(=O)(=O)[O-])N)/N=N/c4c(cc5ccc(cc5c4O)/N=N/c6c(cc7ccc(cc7c6O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| 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)28-17-24(56(47,48)49)9-10-25(28)30;;;/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+;;; |
| InChiKey: | InChIKey=XELXSUMAOZDNOO-JUDUKPAFSA-K |
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