DIRECT ORANGE 1 ,54579-28-1 _Chemical Cloud Database

DIRECT ORANGE 1

Basic Information
Product Name：	DIRECT ORANGE 1
CAS：	54579-28-1
English Synonyms：	DIRECT ORANGE 1
MDL Number.：	MFCD00266523
H bond acceptor：	15
H bond donor：	2
Smile：	c1cc(ccc1c2ccc(cc2)/N=N/c3c(nn(c3O)c4ccc(cc4)S(=O)(=O)[O-])C(=O)[O-])/N=N/c5ccc(c(c5)C(=O)[O-])O.[Na+].[Na+].[Na+]
InChi：	InChI=1S/C29H20N6O9S.3Na/c36-24-14-9-20(15-23(24)28(38)39)32-30-18-5-1-16(2-6-18)17-3-7-19(8-4-17)31-33-25-26(29(40)41)34-35(27(25)37)21-10-12-22(13-11-21)45(42,43)44;;;/h1-15,36-37H,(H,38,39)(H,40,41)(H,42,43,44);;;/q;3*+1/p-3/b32-30+,33-31+;;;
InChiKey：	InChIKey=RAKLJUUSRBUXPY-SYOZAWHTSA-K

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