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CI 23790

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Name: CI 23790
CAS: 2150-54-1
Synonyms: CI 23790 ; DIANIL BLUE B
MDL.: MFCD00053482
H bond acceptor: 20
H bond donor: 4
Smile: Cc1cc(ccc1/N=N/c2c(cc3cc(cc(c3c2O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(c(c4)C)/N=N/c5c(cc6cc(cc(c6c5O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C34H26N4O16S4.4Na/c1-15-7-17(3-5-23(15)35-37-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-25(39)29(19)33(31)41)18-4-6-24(16(2)8-18)36-38-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-26(40)30(20)34(32)42;;;;/h3-14,39-42H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b37-35+,38-36+;;;;
InChiKey: InChIKey=JUEBRKPPGMULSU-OTGYWJPESA-J

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