OXONOL 805 BLUE

CAS No.
27969-56-8
CCD No.
CCD00098458
Formula
C25 H22 N4 O8 S2
MolWeight
570.601

Basic Information

Product Name: OXONOL 805 BLUE
CAS: 27969-56-8
English Synonyms: 1,1'-BIS(4-SULFOPHENYL)-5,5'-DIHYDROXY-3,3'-DIMETHYLPYRAZOLO-4,4'-PENTAMETHINEOXONOLE ; 1,5-PENTAMETHIN-4,4'-BIS[1-(P-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE] ; OXONOL 805 BLUE
MDL Number.: MFCD00213904
H bond acceptor: 12
H bond donor: 2
Smile: CC1=NN(C(=O)C1/C=C/C=C/C=C\2/C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)O)C)c4ccc(cc4)S(=O)(=O)O
InChi: InChI=1S/C25H22N4O8S2/c1-16-22(24(30)28(26-16)18-8-12-20(13-9-18)38(32,33)34)6-4-3-5-7-23-17(2)27-29(25(23)31)19-10-14-21(15-11-19)39(35,36)37/h3-15,22H,1-2H3,(H,32,33,34)(H,35,36,37)/b5-3+,6-4+,23-7-
InChiKey: InChIKey=ZYEKPKUEHLUSET-GSLHRLMQSA-N

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