Pro_Molecular_Structure:
pro_cdbregno:CCD00166424
酸性黑94
pro_cas:
6358-80-1
pro_formula:C41 H29 N8 O11 S3 . 3 Na
pro_molWeight:974.893
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| Product_Name： | 酸性黑94 |
| CAS： | 6358-80-1 |
| 中文同义词： | 酸性黑94 |
| EnglishSynonyms： | CI ACID BLACK 94 ; ACID BLACK B ; TRISODIUM 4-AMINO-5-HYDROXY-3-[[4'-[[4-HYDROXY-2-[(O-TOLYL)AMINO]PHENYL]AZO][1,1'-BIPHENYL]-4-YL]AZO]-6-[(4-SULPHONATOPHENYL)AZO]NAPHTHALENE-2,7 DISULPHONATE |
| pro_mdlNumber： | MFCD00800389 |
| pro_acceptors： | 19 |
| pro_donors： | 4 |
| pro_smile： | Cc1ccccc1Nc2cc(ccc2/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(cc6cc(c(c(c6c5N)O)/N=N/c7ccc(cc7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+] |
| InChi： | InChI=1S/C41H32N8O11S3.3Na/c1-23-4-2-3-5-32(23)43-34-22-30(50)16-19-33(34)47-44-27-10-6-24(7-11-27)25-8-12-28(13-9-25)45-48-39-35(62(55,56)57)20-26-21-36(63(58,59)60)40(41(51)37(26)38(39)42)49-46-29-14-17-31(18-15-29)61(52,53)54;;;/h2-22,43,50-51H,42H2,1H3,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3/b47-44+,48-45+,49-46+;;; |
| InChiKey： | InChIKey=GJRUEHLEWXORDW-RWUPFDEASA-K |
basic_info
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