![Benzenesulfonic acid, 4-[[4-[bis[4-[(4-sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino], disodium salt](/api/spectrum/KB0a83rr501/structure.png?h=300&w=458 "Benzenesulfonic acid, 4-[[4-[bis[4-[(4-sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino], disodium salt")
| SpectraBase Compound ID | LKKJ2w0RJ3P |
|---|---|
| InChI | InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2 |
| InChIKey | MCPLVIGCWWTHFH-UHFFFAOYSA-L |
| Mol Weight | 799.79453856 g/mol |
| Molecular Formula | C37H27N3Na2O9S3 |
| Exact Mass | 799.070482 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | KB0a83rr501 |
|---|---|
| Name | Benzenesulfonic acid, 4-[[4-[bis[4-[(4-sulfophenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino], disodium salt |
| CAS Registry Number | 6415-98-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C37H27N3Na2O9S3 |
| InChI | InChI=1S/C37H29N3O9S3.2Na/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49;;/h1-24,38-39H,(H,41,42,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2 |
| InChIKey | MCPLVIGCWWTHFH-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |