SpectraBase Compound ID | GmkdaLxK9hS |
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InChI | InChI=1S/C29H21N5O6S.2Na/c30-28-23-4-2-1-3-22(23)27(41(38,39)40)16-25(28)34-32-20-11-7-18(8-12-20)17-5-9-19(10-6-17)31-33-21-13-14-26(35)24(15-21)29(36)37;;/h1-16,35H,30H2,(H,36,37)(H,38,39,40);;/q;2*+1/p-2/b33-31+,34-32+;; |
InChIKey | RBOUZBUAZMPIJV-KZIIJSKASA-L |
Mol Weight | 611.53953856 g/mol |
Molecular Formula | C29H19N5Na2O6S |
Exact Mass | 611.085143 g/mol |
SpectraBase Spectrum ID | 1QGgDZD6m4e |
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Name | Benzoic acid, 5-[[4'-[(1-amino-4-sulfo-2-naphthalenyl)azo][1,1'-biphenyl-4-yl]azo]-2-hydroxy-, disodium salt |
CAS Registry Number | 2429-79-0 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C29H19N5Na2O6S |
InChI | InChI=1S/C29H21N5O6S.2Na/c30-28-23-4-2-1-3-22(23)27(41(38,39)40)16-25(28)34-32-20-11-7-18(8-12-20)17-5-9-19(10-6-17)31-33-21-13-14-26(35)24(15-21)29(36)37;;/h1-16,35H,30H2,(H,36,37)(H,38,39,40);;/q;2*+1/p-2/b33-31+,34-32+;; |
InChIKey | RBOUZBUAZMPIJV-KZIIJSKASA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |