ACID BLUE 89

CAS No.
CCD No.
CCD00103942
Formula
C27 H18 N3 O10 S3 . 3 Na
MolWeight
709.618

Basic Information

Product Name: ACID BLUE 89
English Synonyms: ACID BLUE 89
MDL Number.: MFCD00231011
H bond acceptor: 13
H bond donor: 2
Smile: Cc1ccc(cc1)Nc2ccc(c3c2c(ccc3)S(=O)(=O)[O-])/N=N/c4cc(cc5c4c(cc(c5)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChi: InChI=1S/C27H21N3O10S3.3Na/c1-15-5-7-17(8-6-15)28-22-10-9-21(20-3-2-4-25(27(20)22)43(38,39)40)29-30-23-13-18(41(32,33)34)11-16-12-19(42(35,36)37)14-24(31)26(16)23;;;/h2-14,28,31H,1H3,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b30-29+;;;
InChiKey: InChIKey=ZOKXMSGXPKIEIL-MHAWFHQYSA-K

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