Tetrasodium {[4'-{[6-(benzoylamino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-4-({6-[(2,4-dimethoxyphenyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-3'-(2-oxido-2-oxoethoxy)-1,1'-biphenyl-3-yl]oxy}acetate

SpectraBase Compound ID	1bJPBcHFyUi
InChI	InChI=1S/C51H40N6O17S2.4Na/c1-71-34-12-17-37(40(24-34)72-2)52-32-10-13-35-30(18-32)22-43(75(65,66)67)47(49(35)62)56-54-38-15-8-28(20-41(38)73-25-45(58)59)29-9-16-39(42(21-29)74-26-46(60)61)55-57-48-44(76(68,69)70)23-31-19-33(11-14-36(31)50(48)63)53-51(64)27-6-4-3-5-7-27;;;;/h3-24,52,62-63H,25-26H2,1-2H3,(H,53,64)(H,58,59)(H,60,61)(H,65,66,67)(H,68,69,70);;;;/q;4*+1/p-4/b56-54+,57-55+;;;;
InChIKey	AJRQCFLDUUZXAM-NZOGZQDQSA-J Google Search
Mol Weight	1160.95307713 g/mol
Molecular Formula	C51H36N6Na4O17S2
Exact Mass	1160.116913 g/mol

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SpectraBase Spectrum ID	26Sy83TOG9G
Name	Tetrasodium {[4'-{[6-(benzoylamino)-1-hydroxy-3-sulfonato-2-naphthyl]diazenyl}-4-({6-[(2,4-dimethoxyphenyl)amino]-1-hydroxy-3-sulfonato-2-naphthyl}diazenyl)-3'-(2-oxido-2-oxoethoxy)-1,1'-biphenyl-3-yl]oxy}acetate
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C51H36N6Na4O17S2
InChI	InChI=1S/C51H40N6O17S2.4Na/c1-71-34-12-17-37(40(24-34)72-2)52-32-10-13-35-30(18-32)22-43(75(65,66)67)47(49(35)62)56-54-38-15-8-28(20-41(38)73-25-45(58)59)29-9-16-39(42(21-29)74-26-46(60)61)55-57-48-44(76(68,69)70)23-31-19-33(11-14-36(31)50(48)63)53-51(64)27-6-4-3-5-7-27;;;;/h3-24,52,62-63H,25-26H2,1-2H3,(H,53,64)(H,58,59)(H,60,61)(H,65,66,67)(H,68,69,70);;;;/q;4*+1/p-4/b56-54+,57-55+;;;;
InChIKey	AJRQCFLDUUZXAM-NZOGZQDQSA-J
Instrument Name	Bruker IFS 85
Technique	KBr-Pellet