![Trisodium 7-[(4-aminobenzoyl)amino]-3-({4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-2-methoxy-6-sulfonato-1-naphthyl}diazenyl)-4-hydroxy-2-naphthalenesulfonate](/api/spectrum/7wTYPCXoHyo/structure.png?h=300&w=458 "Trisodium 7-[(4-aminobenzoyl)amino]-3-({4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-2-methoxy-6-sulfonato-1-naphthyl}diazenyl)-4-hydroxy-2-naphthalenesulfonate")
| SpectraBase Compound ID | LP9uoEEtxn6 |
|---|---|
| InChI | InChI=1S/C34H24Cl2N6O12S3.3Na/c1-54-28-15-26(39-40-27-13-25(36)29(14-24(27)35)56(48,49)50)23-12-20(55(45,46)47)7-9-22(23)31(28)41-42-32-30(57(51,52)53)11-17-10-19(6-8-21(17)33(32)43)38-34(44)16-2-4-18(37)5-3-16;;;/h2-15,43H,37H2,1H3,(H,38,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b40-39-,42-41+;;; |
| InChIKey | MKCPABMDITWNDQ-LUJITOCWSA-K |
| Mol Weight | 941.62730785 g/mol |
| Molecular Formula | C34H21Cl2N6Na3O12S3 |
| Exact Mass | 939.944972 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 7wTYPCXoHyo |
|---|---|
| Name | Trisodium 7-[(4-aminobenzoyl)amino]-3-({4-[(2,5-dichloro-4-sulfonatophenyl)diazenyl]-2-methoxy-6-sulfonato-1-naphthyl}diazenyl)-4-hydroxy-2-naphthalenesulfonate |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H21Cl2N6Na3O12S3 |
| InChI | InChI=1S/C34H24Cl2N6O12S3.3Na/c1-54-28-15-26(39-40-27-13-25(36)29(14-24(27)35)56(48,49)50)23-12-20(55(45,46)47)7-9-22(23)31(28)41-42-32-30(57(51,52)53)11-17-10-19(6-8-21(17)33(32)43)38-34(44)16-2-4-18(37)5-3-16;;;/h2-15,43H,37H2,1H3,(H,38,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b40-39-,42-41+;;; |
| InChIKey | MKCPABMDITWNDQ-LUJITOCWSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |