3,5-Diamino-4-chlor-benzol-1-sulfoacid(1)[-benzidie-](2)[toluylen-2,4-diamine(ac.)<-sulfanilacid]

SpectraBase Compound ID	KLvehtA3QKQ
InChI	InChI=1S/C31H27ClN10O6S2.2Na/c1-16-14-24(40-37-21-10-12-22(13-11-21)49(43,44)45)28(35)31(27(16)34)42-39-20-8-4-18(5-9-20)17-2-6-19(7-3-17)38-41-30-25(50(46,47)48)15-23(33)26(32)29(30)36;;/h2-15H,33-36H2,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b40-37-,41-38+,42-39+;;
InChIKey	NHJANDMWOSBLRG-XWNNUSKTSA-L Google Search
Mol Weight	779.15753856 g/mol
Molecular Formula	C31H25ClN10Na2O6S2
Exact Mass	778.088387 g/mol

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SpectraBase Spectrum ID	8EMsCn7nGQF
Name	3,5-Diamino-4-chlor-benzol-1-sulfoacid(1)[-benzidie-](2)[toluylen-2,4-diamine(ac.)<-sulfanilacid]
CAS Registry Number	6661-48-9
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C31H25ClN10Na2O6S2
InChI	InChI=1S/C31H27ClN10O6S2.2Na/c1-16-14-24(40-37-21-10-12-22(13-11-21)49(43,44)45)28(35)31(27(16)34)42-39-20-8-4-18(5-9-20)17-2-6-19(7-3-17)38-41-30-25(50(46,47)48)15-23(33)26(32)29(30)36;;/h2-15H,33-36H2,1H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b40-37-,41-38+,42-39+;;
InChIKey	NHJANDMWOSBLRG-XWNNUSKTSA-L
Instrument Name	Bruker IFS 85
Synonyms	Benzenesulfonic acid, 3,5-diamino-4-chloro-2-[[4'-[[2,6-diamino-3-methyl-5-[(4-sulfophenyl)azo]phenyl]azo][1,1'-biphenyl]-yl]azo]-, disodium salt
Technique	KBr-Pellet