[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[(2,4-diamino-5-nitrophenyl)azo]phenyl]-6-methyl-, monosodium salt

SpectraBase Compound ID	1XSZ8jW2mnp
InChI	InChI=1S/C27H19N7O5S3.Na/c1-13-2-8-20-24(25(13)42(37,38)39)41-27(31-20)15-5-9-19-23(10-15)40-26(30-19)14-3-6-16(7-4-14)32-33-21-12-22(34(35)36)18(29)11-17(21)28;/h2-12H,28-29H2,1H3,(H,37,38,39);/q;+1/p-1
InChIKey	QLYMSBLZBXTCCK-UHFFFAOYSA-M Google Search
Mol Weight	639.65476928 g/mol
Molecular Formula	C27H18N7NaO5S3
Exact Mass	639.042925 g/mol

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SpectraBase Spectrum ID	Ig79GNUD8tr
Name	[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[(2,4-diamino-5-nitrophenyl)azo]phenyl]-6-methyl-, monosodium salt
CAS Registry Number	10214-09-2
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C27H18N7NaO5S3
InChI	InChI=1S/C27H19N7O5S3.Na/c1-13-2-8-20-24(25(13)42(37,38)39)41-27(31-20)15-5-9-19-23(10-15)40-26(30-19)14-3-6-16(7-4-14)32-33-21-12-22(34(35)36)18(29)11-17(21)28;/h2-12H,28-29H2,1H3,(H,37,38,39);/q;+1/p-1
InChIKey	QLYMSBLZBXTCCK-UHFFFAOYSA-M
Instrument Name	Bruker IFS 85
Technique	KBr-Pellet