2-Naphthalenesulfonic acid, 7-[[4-[[6-[(aminocarbonyl)amino]1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulfophenyl)azo]phenyl]azo]-, trisodium salt

SpectraBase Compound ID	KNnG8Qxg60A
InChI	InChI=1S/C42H33N9O13S3.3Na/c1-21-15-29(47-48-34-14-10-30(16-22(34)2)65(56,57)58)9-13-33(21)49-51-38-36(67(62,63)64)19-24-17-27(7-11-31(24)40(38)53)44-41(54)23-3-5-26(6-4-23)46-50-37-35(66(59,60)61)20-25-18-28(45-42(43)55)8-12-32(25)39(37)52;;;/h3-20,52-53H,1-2H3,(H,44,54)(H3,43,45,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3/b48-47-,50-46+,51-49-;;;
InChIKey	XNAKUFJRMVNWNU-BWIQSRJLSA-K Google Search
Mol Weight	1033.90130785 g/mol
Molecular Formula	C42H30N9Na3O13S3
Exact Mass	1033.081828 g/mol

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SpectraBase Spectrum ID	KSgcoFY0LfT
Name	2-Naphthalenesulfonic acid, 7-[[4-[[6-[(aminocarbonyl)amino]1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulfophenyl)azo]phenyl]azo]-, trisodium salt
CAS Registry Number	6428-17-7
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C42H30N9Na3O13S3
InChI	InChI=1S/C42H33N9O13S3.3Na/c1-21-15-29(47-48-34-14-10-30(16-22(34)2)65(56,57)58)9-13-33(21)49-51-38-36(67(62,63)64)19-24-17-27(7-11-31(24)40(38)53)44-41(54)23-3-5-26(6-4-23)46-50-37-35(66(59,60)61)20-25-18-28(45-42(43)55)8-12-32(25)39(37)52;;;/h3-20,52-53H,1-2H3,(H,44,54)(H3,43,45,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3/b48-47-,50-46+,51-49-;;;
InChIKey	XNAKUFJRMVNWNU-BWIQSRJLSA-K
Instrument Name	Bruker IFS 85
Technique	KBr-Pellet