![Benzoic acid, 5-[[4'-[6-[(carboxymethyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt](/api/spectrum/59wKqqU8Cop/structure.png?h=300&w=458 "Benzoic acid, 5-[[4'-[6-[(carboxymethyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt")
| SpectraBase Compound ID | AO9hrSvUH5y |
|---|---|
| InChI | InChI=1S/C33H27N5O9S.3Na/c1-17-11-19(3-8-26(17)36-35-23-6-10-28(39)25(15-23)33(43)44)20-4-9-27(18(2)12-20)37-38-31-29(48(45,46)47)14-21-13-22(34-16-30(40)41)5-7-24(21)32(31)42;;;/h3-15,34,39,42H,16H2,1-2H3,(H,40,41)(H,43,44)(H,45,46,47);;;/q;3*+1/p-3/b36-35+,38-37+;;; |
| InChIKey | LMKUZZQCCUQVCV-GUMGSTPWSA-K |
| Mol Weight | 735.61030785 g/mol |
| Molecular Formula | C33H24N5Na3O9S |
| Exact Mass | 735.098781 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 59wKqqU8Cop |
|---|---|
| Name | Benzoic acid, 5-[[4'-[6-[(carboxymethyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, trisodium salt |
| CAS Registry Number | 6507-85-3 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H24N5Na3O9S |
| InChI | InChI=1S/C33H27N5O9S.3Na/c1-17-11-19(3-8-26(17)36-35-23-6-10-28(39)25(15-23)33(43)44)20-4-9-27(18(2)12-20)37-38-31-29(48(45,46)47)14-21-13-22(34-16-30(40)41)5-7-24(21)32(31)42;;;/h3-15,34,39,42H,16H2,1-2H3,(H,40,41)(H,43,44)(H,45,46,47);;;/q;3*+1/p-3/b36-35+,38-37+;;; |
| InChIKey | LMKUZZQCCUQVCV-GUMGSTPWSA-K |
| Instrument Name | Bruker IFS 85 |
| Synonyms | Salicylacid(1)[-o-tolidin-](2)(alk)N-carboxymethyl-J=acid |
| Technique | KBr-Pellet |