![Benzoic acid, 5-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-2-hydroxy-, disodium salt](/api/spectrum/4K0Oatzwj2C/structure.png?h=300&w=458 "Benzoic acid, 5-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-2-hydroxy-, disodium salt")
| SpectraBase Compound ID | 1Z2QZzel1dq |
|---|---|
| InChI | InChI=1S/C33H27N5O9S.2Na/c1-16-11-18(3-8-25(16)34)31(41)35-21-5-7-23-20(13-21)14-28(48(45,46)47)29(30(23)40)38-37-26-9-4-19(12-17(26)2)32(42)36-22-6-10-27(39)24(15-22)33(43)44;;/h3-15,39-40H,34H2,1-2H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46,47);;/q;2*+1/p-2/b38-37-;; |
| InChIKey | WKQBFFCERAGAJK-VJZPTIJGSA-L |
| Mol Weight | 713.62853856 g/mol |
| Molecular Formula | C33H25N5Na2O9S |
| Exact Mass | 713.116837 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4K0Oatzwj2C |
|---|---|
| Name | Benzoic acid, 5-[[4-[[6-[(4-amino-3-methylbenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-3-methylbenzoyl]amino]-2-hydroxy-, disodium salt |
| CAS Registry Number | 6492-66-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H25N5Na2O9S |
| InChI | InChI=1S/C33H27N5O9S.2Na/c1-16-11-18(3-8-25(16)34)31(41)35-21-5-7-23-20(13-21)14-28(48(45,46)47)29(30(23)40)38-37-26-9-4-19(12-17(26)2)32(42)36-22-6-10-27(39)24(15-22)33(43)44;;/h3-15,39-40H,34H2,1-2H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46,47);;/q;2*+1/p-2/b38-37-;; |
| InChIKey | WKQBFFCERAGAJK-VJZPTIJGSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |