![Benzoic acid, 5-[[3-[[8-(acetylamino)-1-hydroxy-3,5-disulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-, trisodium salt](/api/spectrum/AYR2ny8DZV6/structure.png?h=300&w=458 "Benzoic acid, 5-[[3-[[8-(acetylamino)-1-hydroxy-3,5-disulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-, trisodium salt")
| SpectraBase Compound ID | ISjTfRMRdr6 |
|---|---|
| InChI | InChI=1S/C26H20N4O12S2.3Na/c1-12(31)27-18-6-8-20(43(37,38)39)17-11-21(44(40,41)42)23(24(33)22(17)18)30-29-15-4-2-3-13(9-15)25(34)28-14-5-7-19(32)16(10-14)26(35)36;;;/h2-11,32-33H,1H3,(H,27,31)(H,28,34)(H,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3 |
| InChIKey | CQRWNJGIMDVAHH-UHFFFAOYSA-K |
| Mol Weight | 710.52730785 g/mol |
| Molecular Formula | C26H17N4Na3O12S2 |
| Exact Mass | 709.997747 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | AYR2ny8DZV6 |
|---|---|
| Name | Benzoic acid, 5-[[3-[[8-(acetylamino)-1-hydroxy-3,5-disulfo-2-naphthalenyl]azo]benzoyl]amino]-2-hydroxy-, trisodium salt |
| CAS Registry Number | 6417-34-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C26H17N4Na3O12S2 |
| InChI | InChI=1S/C26H20N4O12S2.3Na/c1-12(31)27-18-6-8-20(43(37,38)39)17-11-21(44(40,41)42)23(24(33)22(17)18)30-29-15-4-2-3-13(9-15)25(34)28-14-5-7-19(32)16(10-14)26(35)36;;;/h2-11,32-33H,1H3,(H,27,31)(H,28,34)(H,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3 |
| InChIKey | CQRWNJGIMDVAHH-UHFFFAOYSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |