Trisodium 6-[(2,4-diamino-5-methylphenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diamino-5-methylphenyl)diazenyl]-1-hydroxy-4-sulfonato-2-naphthyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-4-hydroxy-1-naphthalenesulfonate

SpectraBase Compound ID	AoNUyDk6SIc
InChI	InChI=1S/C46H39N13O11S3.3Na/c1-22-13-38(35(49)18-33(22)47)56-53-26-7-10-29-31(15-26)45(60)40(20-42(29)71(62,63)64)58-52-25-5-3-24(4-6-25)51-37-12-9-28(17-44(37)73(68,69)70)55-59-41-21-43(72(65,66)67)30-11-8-27(16-32(30)46(41)61)54-57-39-14-23(2)34(48)19-36(39)50;;;/h3-21,51,60-61H,47-50H2,1-2H3,(H,62,63,64)(H,65,66,67)(H,68,69,70);;;/q;3*+1/p-3/b56-53?,57-54-,58-52+,59-55?;;;
InChIKey	NDQZPXOKKHEBTK-LVDWLEQJSA-K Google Search
Mol Weight	1112.02330785 g/mol
Molecular Formula	C46H36N13Na3O11S3
Exact Mass	1111.151245 g/mol

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SpectraBase Spectrum ID	CNWjIfDtBYm
Name	Trisodium 6-[(2,4-diamino-5-methylphenyl)diazenyl]-3-[(4-{[4-({7-[(2,4-diamino-5-methylphenyl)diazenyl]-1-hydroxy-4-sulfonato-2-naphthyl}diazenyl)phenyl]amino}-3-sulfonatophenyl)diazenyl]-4-hydroxy-1-naphthalenesulfonate
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C46H36N13Na3O11S3
InChI	InChI=1S/C46H39N13O11S3.3Na/c1-22-13-38(35(49)18-33(22)47)56-53-26-7-10-29-31(15-26)45(60)40(20-42(29)71(62,63)64)58-52-25-5-3-24(4-6-25)51-37-12-9-28(17-44(37)73(68,69)70)55-59-41-21-43(72(65,66)67)30-11-8-27(16-32(30)46(41)61)54-57-39-14-23(2)34(48)19-36(39)50;;;/h3-21,51,60-61H,47-50H2,1-2H3,(H,62,63,64)(H,65,66,67)(H,68,69,70);;;/q;3*+1/p-3/b56-53?,57-54-,58-52+,59-55?;;;
InChIKey	NDQZPXOKKHEBTK-LVDWLEQJSA-K
Instrument Name	Bruker IFS 85
Technique	KBr-Pellet