![Benzenesulfonic acid, 5-[(4-aminobenzoyl)amino]-2-[2-[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-sulfophenyl]ethenyl], disodium salt](/api/spectrum/Gl2hCeBzzV6/structure.png?h=300&w=458 "Benzenesulfonic acid, 5-[(4-aminobenzoyl)amino]-2-[2-[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-sulfophenyl]ethenyl], disodium salt")
| SpectraBase Compound ID | 59PNSJIuqI8 |
|---|---|
| InChI | InChI=1S/C35H29N5O9S2.2Na/c36-26-11-3-23(4-12-26)33(41)38-28-15-9-25(10-16-28)35(43)40-30-18-8-22(32(20-30)51(47,48)49)2-1-21-7-17-29(19-31(21)50(44,45)46)39-34(42)24-5-13-27(37)14-6-24;;/h1-20H,36-37H2,(H,38,41)(H,39,42)(H,40,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2 |
| InChIKey | ZCIARVSRFJOLLB-UHFFFAOYSA-L |
| Mol Weight | 771.72653856 g/mol |
| Molecular Formula | C35H27N5Na2O9S2 |
| Exact Mass | 771.104558 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Gl2hCeBzzV6 |
|---|---|
| Name | Benzenesulfonic acid, 5-[(4-aminobenzoyl)amino]-2-[2-[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-sulfophenyl]ethenyl], disodium salt |
| CAS Registry Number | 6409-90-1 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H27N5Na2O9S2 |
| InChI | InChI=1S/C35H29N5O9S2.2Na/c36-26-11-3-23(4-12-26)33(41)38-28-15-9-25(10-16-28)35(43)40-30-18-8-22(32(20-30)51(47,48)49)2-1-21-7-17-29(19-31(21)50(44,45)46)39-34(42)24-5-13-27(37)14-6-24;;/h1-20H,36-37H2,(H,38,41)(H,39,42)(H,40,43)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2 |
| InChIKey | ZCIARVSRFJOLLB-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |