![Benzoic acid, 5-[[6-[[4-[(2,4-dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]-2-hydroxy-, trisodium salt](/api/spectrum/8ZCybQXRoE6/structure.png?h=300&w=458 "Benzoic acid, 5-[[6-[[4-[(2,4-dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]-2-hydroxy-, trisodium salt")
| SpectraBase Compound ID | AYyTKy5fa1e |
|---|---|
| InChI | InChI=1S/C33H29N5O11S2.3Na/c1-16-9-18(3)30(28(10-16)50(43,44)45)37-35-24-15-27(49-4)25(11-17(24)2)36-38-31-29(51(46,47)48)13-19-12-20(5-7-22(19)32(31)40)34-21-6-8-26(39)23(14-21)33(41)42;;;/h5-15,34,39-40H,1-4H3,(H,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3 |
| InChIKey | ZSJFLGXUONMKEQ-UHFFFAOYSA-K |
| Mol Weight | 801.68430785 g/mol |
| Molecular Formula | C33H26N5Na3O11S2 |
| Exact Mass | 801.076332 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 8ZCybQXRoE6 |
|---|---|
| Name | Benzoic acid, 5-[[6-[[4-[(2,4-dimethyl-6-sulfophenyl)azo]-2-methoxy-5-methylphenyl]azo]-5-hydroxy-7-sulfo-2-naphthalenyl]amino]-2-hydroxy-, trisodium salt |
| CAS Registry Number | 6227-23-2 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H26N5Na3O11S2 |
| InChI | InChI=1S/C33H29N5O11S2.3Na/c1-16-9-18(3)30(28(10-16)50(43,44)45)37-35-24-15-27(49-4)25(11-17(24)2)36-38-31-29(51(46,47)48)13-19-12-20(5-7-22(19)32(31)40)34-21-6-8-26(39)23(14-21)33(41)42;;;/h5-15,34,39-40H,1-4H3,(H,41,42)(H,43,44,45)(H,46,47,48);;;/q;3*+1/p-3 |
| InChIKey | ZSJFLGXUONMKEQ-UHFFFAOYSA-K |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |