1H-1,2,4-Triazole-3-carboxylic acid, 5,5'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[azo(2-amino-5-hydroxy-7-sulfo-6,1-naphthalenediyl)azo]]bis-, tetrasodium salt

SpectraBase Compound ID	LedIiXLw1rR
InChI	InChI=1S/C40H30N16O14S2.4Na/c1-69-25-11-15(3-9-23(25)45-49-31-27(71(63,64)65)13-19-17(33(31)57)5-7-21(41)29(19)47-53-39-43-35(37(59)60)51-55-39)16-4-10-24(26(12-16)70-2)46-50-32-28(72(66,67)68)14-20-18(34(32)58)6-8-22(42)30(20)48-54-40-44-36(38(61)62)52-56-40;;;;/h3-14,57-58H,41-42H2,1-2H3,(H,59,60)(H,61,62)(H,43,51,55)(H,44,52,56)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4/b49-45+,50-46+,53-47?,54-48?;;;;
InChIKey	MBCXTDMHWTXLAK-QWIKAJDMSA-J Google Search
Mol Weight	1110.82507713 g/mol
Molecular Formula	C40H26N16Na4O14S2
Exact Mass	1110.084659 g/mol

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SpectraBase Spectrum ID	IuQ3PNb66es
Name	1H-1,2,4-Triazole-3-carboxylic acid, 5,5'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[azo(2-amino-5-hydroxy-7-sulfo-6,1-naphthalenediyl)azo]]bis-, tetrasodium salt
CAS Registry Number	6428-30-4
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C40H26N16Na4O14S2
InChI	InChI=1S/C40H30N16O14S2.4Na/c1-69-25-11-15(3-9-23(25)45-49-31-27(71(63,64)65)13-19-17(33(31)57)5-7-21(41)29(19)47-53-39-43-35(37(59)60)51-55-39)16-4-10-24(26(12-16)70-2)46-50-32-28(72(66,67)68)14-20-18(34(32)58)6-8-22(42)30(20)48-54-40-44-36(38(61)62)52-56-40;;;;/h3-14,57-58H,41-42H2,1-2H3,(H,59,60)(H,61,62)(H,43,51,55)(H,44,52,56)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4/b49-45+,50-46+,53-47?,54-48?;;;;
InChIKey	MBCXTDMHWTXLAK-QWIKAJDMSA-J
Instrument Name	Bruker IFS 85
Synonyms	o-Dianisidine->>(alk)[J=acid(ac)<-5-amino-4H-1,2,4-triazol-3-carbonic acid](2 mol)
Technique	KBr-Pellet