![4'-{[5-HYDROXY-3-METHYL-1-(p-SULFOPHENYL)PYRAZOL-4-YL]AZO}-4-[(p-HYDROXYPHENYL)AZO]-3-BIPHENYLSULFONIC ACID, DISODIUM SALT, 4-(p-TOLUENESULFONATE)](/api/spectrum/I2doVybYmn4/structure.png?h=300&w=458 "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 |
| Mol Weight | 832.8 g/mol |
| Molecular Formula | C35H26N6Na2O10S3 |
| Exact Mass | 832.066793 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | I2doVybYmn4 |
|---|---|
| Name | p-Toluolsulfo-phenol[-3-sulfobenzidin-]3-methyl-1-(p-sulfophenyl)-5-pyrazolon[1,1'-Biphenyl]-3-sulfonic acid, 4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-, disodium salt |
| CAS Registry Number | 15792-50-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |