| SpectraBase Compound ID | BLRpNiuyWA4 |
|---|---|
| InChI | InChI=1S/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b24-23+,26-25+;;;; |
| InChIKey | KQHKSGRIBYJYFX-WNDMICSESA-J |
| Mol Weight | 760.55207713 g/mol |
| Molecular Formula | C22H12N4Na4O13S4 |
| Exact Mass | 759.887448 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Iyd433nsKG5 |
|---|---|
| Name | Ponceau S |
| Catalog Number | 141194 |
| Brand | SIAL |
| CAS Registry Number | 6226-79-5 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H12N4Na4O13S4 |
| Formula (reported) | C22H12N4Na4O13S4 |
| InChI | InChI=1S/C22H16N4O13S4.4Na/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30;;;;/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;;/q;4*+1/p-4/b24-23+,26-25+;;;; |
| InChIKey | KQHKSGRIBYJYFX-WNDMICSESA-J |
| Synonyms | 3-Hydroxy-4-(2-sulfo-4-[4-sulfophenylazo]phenylazo)-2,7-naphthalenedisulfonic acid sodium salt |
| Wiley ID | SIAL_RAMAN_001405 |