4'-{[5-HYDROXY-3-METHYL-1-(p-SULFOPHENYL)PYRAZOL-4-YL]AZO}-4-[(p-HYDROXYPHENYL)AZO]-3-BIPHENYLSULFONIC ACID, DISODIUM SALT, 4-(p-TOLUENESULFONATE)

SpectraBase Compound ID	96WXBmZj6li
InChI	InChI=1S/C35H28N6O10S3.2Na/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45;;/h3-21,42H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b38-36+,39-37+;;
InChIKey	DBWXHWIECBQPCI-PYIFGEPISA-L Google Search
Mol Weight	832.78453856 g/mol
Molecular Formula	C35H26N6Na2O10S3
Exact Mass	832.066793 g/mol

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SpectraBase Spectrum ID	7RMQsNiAZEQ
Name	4'-{[5-HYDROXY-3-METHYL-1-(p-SULFOPHENYL)PYRAZOL-4-YL]AZO}-4-[(p-HYDROXYPHENYL)AZO]-3-BIPHENYLSULFONIC ACID, DISODIUM SALT, 4-(p-TOLUENESULFONATE)
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Catalog Number	20197
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C35H26N6Na2O10S3
InChI	InChI=1S/C35H28N6O10S3.2Na/c1-22-3-16-31(17-4-22)54(49,50)51-29-14-10-27(11-15-29)36-38-32-20-7-25(21-33(32)53(46,47)48)24-5-8-26(9-6-24)37-39-34-23(2)40-41(35(34)42)28-12-18-30(19-13-28)52(43,44)45;;/h3-21,42H,1-2H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b38-36+,39-37+;;
InChIKey	DBWXHWIECBQPCI-PYIFGEPISA-L
Melting Point	>300C
Molecular Weight	832.784973
Synonyms	3-BIPHENYLSULFONIC ACID, 4*-//5-HYD- ROXY-3-METHYL-1-/P-SULFOPHENYL/PYRAZOL- 4-YL/AZO/-4-//P-HYDROXYPHENYL/AZO/-, DISODIUM SALT, 4-/P-TOLUENESULFONATE/ CI ACID ORANGE 63
Technique	KBr WAFER