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 No.
85959-06-4
CCD No.
CCD08276127
Formula
C46 H32 Cl2 N14 O22 S6 . K . Na
MolWeight
1458.22

Basic Information

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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