Basic Information |
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Product Name: | 4,4'-[P-PHENYLENEBIS[IMINO(6-CHLORO-1,3,5-TRIAZINE-4,2-DIYL)IMINO]]BIS[5-HYDROXY-6-[(4-METHOXY-3-SULPHOPHENYL)AZO]NAPHTHALENE-2,7-DISULPHONIC] ACID POTASSIUM SODIUM SALT |
CAS: | 85959-06-4 |
English Synonyms: | 4,4'-[P-PHENYLENEBIS[IMINO(6-CHLORO-1,3,5-TRIAZINE-4,2-DIYL)IMINO]]BIS[5-HYDROXY-6-[(4-METHOXY-3-SULPHOPHENYL)AZO]NAPHTHALENE-2,7-DISULPHONIC] ACID POTASSIUM SODIUM SALT |
MDL Number.: | MFCD23160626 |
H bond acceptor: | 36 |
H bond donor: | 10 |
Smile: | COc1ccc(cc1S(=O)(=O)O)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)Cl)Nc5ccc(cc5)Nc6nc(nc(n6)Cl)Nc7cc(cc8c7c(c(c(c8)S(=O)(=O)[O-])/N=N/c9ccc(c(c9)S(=O)(=O)O)OC)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[K+] |
InChi: | InChI=1S/C46H34Cl2N14O22S6.K.Na/c1-83-29-9-7-23(15-31(29)87(71,72)73)59-61-37-33(89(77,78)79)13-19-11-25(85(65,66)67)17-27(35(19)39(37)63)51-45-55-41(47)53-43(57-45)49-21-3-5-22(6-4-21)50-44-54-42(48)56-46(58-44)52-28-18-26(86(68,69)70)12-20-14-34(90(80,81)82)38(40(64)36(20)28)62-60-24-8-10-30(84-2)32(16-24)88(74,75)76;;/h3-18,63-64H,1-2H3,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H2,49,51,53,55,57)(H2,50,52,54,56,58);;/q;2*+1/p-2/b61-59+,62-60+;; |
InChiKey: | InChIKey=BEMVKWCBXOLROA-WNBTXXKSSA-L |
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