basic_info |
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| Product_Name: | TRISODIUM 4-AMINO-5-HYDROXY-3-[[4-[[2-OXO-1-[(PHENYLAMINO)CARBONYL]PROPYL]AZO]PHENYL]AZO]-6-[(4-SULPHONATO-1-NAPHTHYL)AZO]NAPHTHALENE-2,7-DISULPHONATE |
| CAS: | 79135-92-5 |
| EnglishSynonyms: | TRISODIUM 4-AMINO-5-HYDROXY-3-[[4-[[2-OXO-1-[(PHENYLAMINO)CARBONYL]PROPYL]AZO]PHENYL]AZO]-6-[(4-SULPHONATO-1-NAPHTHYL)AZO]NAPHTHALENE-2,7-DISULPHONATE |
| pro_mdlNumber: | MFCD23142889 |
| pro_acceptors: | 20 |
| pro_donors: | 3 |
| pro_smile: | CC(=O)C(C(=O)Nc1ccccc1)/N=N/c2ccc(cc2)/N=N/c3c(cc4cc(c(c(c4c3N)O)/N=N/c5ccc(c6c5cccc6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChi: | InChI=1S/C36H28N8O12S3.3Na/c1-19(45)32(36(47)38-21-7-3-2-4-8-21)42-39-22-11-13-23(14-12-22)40-43-33-28(58(51,52)53)17-20-18-29(59(54,55)56)34(35(46)30(20)31(33)37)44-41-26-15-16-27(57(48,49)50)25-10-6-5-9-24(25)26;;;/h2-18,32,46H,37H2,1H3,(H,38,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;/q;3*+1/p-3/b42-39+,43-40+,44-41+;;; |
| InChiKey: | InChIKey=QNOGCTQRPDELBQ-JUDUKPAFSA-K |
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