![[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[[2,6-diamino-3-sulfo-5-[(3-sulfophenyl)azo]phenyl]azo]phenyl]-6-methyl, trisodium salt](/api/spectrum/3GyADuHsmNK/structure.png?h=300&w=458 "[2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[[2,6-diamino-3-sulfo-5-[(3-sulfophenyl)azo]phenyl]azo]phenyl]-6-methyl, trisodium salt")
| SpectraBase Compound ID | KHzrElJ6qQf |
|---|---|
| InChI | InChI=1S/C33H24N8O9S5.3Na/c1-16-5-11-23-30(31(16)55(48,49)50)52-33(37-23)18-8-12-22-25(13-18)51-32(36-22)17-6-9-19(10-7-17)38-41-29-27(34)24(15-26(28(29)35)54(45,46)47)40-39-20-3-2-4-21(14-20)53(42,43)44;;;/h2-15H,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3 |
| InChIKey | BUGPTIZRKDKLTG-UHFFFAOYSA-K |
| Mol Weight | 902.84730785 g/mol |
| Molecular Formula | C33H21N8Na3O9S5 |
| Exact Mass | 901.972813 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3GyADuHsmNK |
|---|---|
| Name | [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-[4-[[2,6-diamino-3-sulfo-5-[(3-sulfophenyl)azo]phenyl]azo]phenyl]-6-methyl, trisodium salt |
| CAS Registry Number | 5850-10-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H21N8Na3O9S5 |
| InChI | InChI=1S/C33H24N8O9S5.3Na/c1-16-5-11-23-30(31(16)55(48,49)50)52-33(37-23)18-8-12-22-25(13-18)51-32(36-22)17-6-9-19(10-7-17)38-41-29-27(34)24(15-26(28(29)35)54(45,46)47)40-39-20-3-2-4-21(14-20)53(42,43)44;;;/h2-15H,34-35H2,1H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3 |
| InChIKey | BUGPTIZRKDKLTG-UHFFFAOYSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |