![5-Phenyl-2-[2-[[5-phenyl-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)benzoxazolium hydroxide inner salt, sodium salt](/api/spectrum/AJnyg8Cfh6v/structure.png?h=300&w=458 "5-Phenyl-2-[2-[[5-phenyl-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)benzoxazolium hydroxide inner salt, sodium salt")
| SpectraBase Compound ID | 2ycbRhozXDQ |
|---|---|
| InChI | InChI=1S/C39H40N2O8S2.Na/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47);/q;+1/p-1 |
| InChIKey | UTIGXBHIJIRMNK-UHFFFAOYSA-M |
| Mol Weight | 750.9 g/mol |
| Molecular Formula | C39H39N2NaO8S2 |
| Exact Mass | 750.204553 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | AJnyg8Cfh6v |
|---|---|
| Name | 5-Phenyl-2-[2-[[5-phenyl-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)benzoxazolium hydroxide inner salt, sodium salt |
| Source of Sample | Aldrich |
| Catalog Number | 386154 |
| CAS Registry Number | 35501-76-9 |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H39N2NaO8S2 |
| InChI | InChI=1S/C39H40N2O8S2.Na/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47);/q;+1/p-1 |
| InChIKey | UTIGXBHIJIRMNK-UHFFFAOYSA-M |
| Purity | Dye content 90% |
| Synonyms | sodium 4-[(2E)-5-phenyl-2-[(2E)-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate |
| Wiley ID | SIAL_ATR-IR_018017 |