basic_info |
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Product_Name: | BLACK NO 2 |
CAS: | 2118-39-0 |
EnglishSynonyms: | BLACK NO 2 ; FOOD BLACK 2 |
pro_mdlNumber: | MFCD02752594 |
pro_acceptors: | 18 |
pro_donors: | 2 |
pro_smile: | c1cc(ccc1/N=N/c2ccc(c3c2ccc(c3)S(=O)(=O)[O-])/N=N/c4c(cc5cc(c(cc5c4O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C26H19N5O13S4.4Na/c27-20-12-18-13(9-23(20)47(39,40)41)10-24(48(42,43)44)25(26(18)32)31-30-22-8-7-21(17-6-5-16(11-19(17)22)46(36,37)38)29-28-14-1-3-15(4-2-14)45(33,34)35;;;;/h1-12,32H,27H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4/b29-28+,31-30+;;;; |
InChiKey: | InChIKey=BZJNMKDNHPKBHE-IDOXDSHBSA-J |
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