![Trisodium 5-{[4'-({8-amino-7-[(4-chloro-3-sulfonatophenyl)amino]-1-hydroxy-5-sulfonato-2-naphthyl}diazenyl)-3,3'-dimethyl-1,1'-biphenyl-4-yl]diazenyl}-2-hydroxybenzoate](/api/spectrum/FwKeVPU3ZKM/structure.png?h=300&w=458 "Trisodium 5-{[4'-({8-amino-7-[(4-chloro-3-sulfonatophenyl)amino]-1-hydroxy-5-sulfonato-2-naphthyl}diazenyl)-3,3'-dimethyl-1,1'-biphenyl-4-yl]diazenyl}-2-hydroxybenzoate")
| SpectraBase Compound ID | 1B5VvWlcadE |
|---|---|
| InChI | InChI=1S/C37H29ClN6O10S2.3Na/c1-18-13-20(3-9-27(18)42-41-23-6-12-31(45)25(15-23)37(47)48)21-4-10-28(19(2)14-21)43-44-29-11-7-24-32(55(49,50)51)17-30(35(39)34(24)36(29)46)40-22-5-8-26(38)33(16-22)56(52,53)54;;;/h3-17,40,45-46H,39H2,1-2H3,(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b42-41+,44-43+;;; |
| InChIKey | SXQKYAQIPINMHL-VNBAHIFJSA-K |
| Mol Weight | 883.18930785 g/mol |
| Molecular Formula | C37H26ClN6Na3O10S2 |
| Exact Mass | 882.053344 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | FwKeVPU3ZKM |
|---|---|
| Name | Trisodium 5-{[4'-({8-amino-7-[(4-chloro-3-sulfonatophenyl)amino]-1-hydroxy-5-sulfonato-2-naphthyl}diazenyl)-3,3'-dimethyl-1,1'-biphenyl-4-yl]diazenyl}-2-hydroxybenzoate |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H26ClN6Na3O10S2 |
| InChI | InChI=1S/C37H29ClN6O10S2.3Na/c1-18-13-20(3-9-27(18)42-41-23-6-12-31(45)25(15-23)37(47)48)21-4-10-28(19(2)14-21)43-44-29-11-7-24-32(55(49,50)51)17-30(35(39)34(24)36(29)46)40-22-5-8-26(38)33(16-22)56(52,53)54;;;/h3-17,40,45-46H,39H2,1-2H3,(H,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b42-41+,44-43+;;; |
| InChIKey | SXQKYAQIPINMHL-VNBAHIFJSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |