![7-Benzothiazolesulfonic acid, 2-[4-[4-[[4-[(3-aminobenzoyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]-6-methyl-, disodium salt](/api/spectrum/xOj4KX742k/structure.png?h=300&w=458 "7-Benzothiazolesulfonic acid, 2-[4-[4-[[4-[(3-aminobenzoyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]-6-methyl-, disodium salt")
| SpectraBase Compound ID | EY7HrcecmSR |
|---|---|
| InChI | InChI=1S/C31H25N7O8S3.2Na/c1-16-6-12-24-27(28(16)49(44,45)46)47-30(34-24)18-7-10-22(11-8-18)38-31(40)26(17(2)37-38)36-35-23-13-9-21(15-25(23)48(41,42)43)33-29(39)19-4-3-5-20(32)14-19;;/h3-15,40H,32H2,1-2H3,(H,33,39)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2 |
| InChIKey | PZSPQEDFSAIKDL-UHFFFAOYSA-L |
| Mol Weight | 763.72553856 g/mol |
| Molecular Formula | C31H23N7Na2O8S3 |
| Exact Mass | 763.056563 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | xOj4KX742k |
|---|---|
| Name | 7-Benzothiazolesulfonic acid, 2-[4-[4-[[4-[(3-aminobenzoyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]-6-methyl-, disodium salt |
| CAS Registry Number | 6844-76-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H23N7Na2O8S3 |
| InChI | InChI=1S/C31H25N7O8S3.2Na/c1-16-6-12-24-27(28(16)49(44,45)46)47-30(34-24)18-7-10-22(11-8-18)38-31(40)26(17(2)37-38)36-35-23-13-9-21(15-25(23)48(41,42)43)33-29(39)19-4-3-5-20(32)14-19;;/h3-15,40H,32H2,1-2H3,(H,33,39)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2 |
| InChIKey | PZSPQEDFSAIKDL-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |