2,6-Dichloro-dimethylsulfooxyfuchson-dicarbonic acid-Na salt

SpectraBase Compound ID	ClPDA7v1AUh
InChI	InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3/b17-12-;;;
InChIKey	FUIZKNBTOOKONL-NDOZRWCBSA-K Google Search
Mol Weight	605.28330785 g/mol
Molecular Formula	C23H13Cl2Na3O9S
Exact Mass	603.935041 g/mol

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SpectraBase Spectrum ID	amt7Fb7gjL
Name	2,6-Dichloro-dimethylsulfooxyfuchson-dicarbonic acid-Na salt
CAS Registry Number	1667-99-8
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C23H13Cl2Na3O9S
InChI	InChI=1S/C23H16Cl2O9S.3Na/c1-9-5-11(7-13(20(9)26)22(28)29)17(12-6-10(2)21(27)14(8-12)23(30)31)18-15(24)3-4-16(19(18)25)35(32,33)34;;;/h3-8,26H,1-2H3,(H,28,29)(H,30,31)(H,32,33,34);;;/q;3*+1/p-3/b17-12-;;;
InChIKey	FUIZKNBTOOKONL-NDOZRWCBSA-K
Instrument Name	Bruker IFS 85
Synonyms	Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichloro-3-sulfophenyl)methyl]-2-hydroxy-3-methyl-, trisodium salt
Technique	KBr-Pellet