CAS 6358-57-2 MFCD00137513-C.I. Acid Red 111 -LabNovo

SMILES: Cc1ccc(S(=O)(=O)Oc2ccc(/N=N/c3ccc(-c4ccc(/N=N/c5c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc6c5O)cc4C)c(C)c3)cc2)cc1.[Na+].[Na+]

Mol. Formula	C37H28N4Na2O10S3
Mol. Weight	830.81

Chemical Name	C.I. Acid Red 111
EC Number	228-779-4
Synonym	C.I. 23266; Disodium 3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate
CAS Number	6358-57-2
InChIKey	YFSRRLXAGNGNNQ-ZVLHYUDCSA-L
PubChem Substance ID	22831
InChI	InChI=1S/C37H30N4O10S3.2Na/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2

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