SpectraBase Compound ID | LTJ9e6Hymk8 |
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InChI | InChI=1S/C34H27N5O10S3.3Na/c1-19-14-29(20(2)13-28(19)37-36-24-17-27-26(31(18-24)51(44,45)46)9-6-10-30(27)50(41,42)43)38-39-33-32(52(47,48)49)16-21-15-23(11-12-25(21)34(33)40)35-22-7-4-3-5-8-22;;;/h3-18,35,40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b37-36+,39-38?;;; |
InChIKey | OVNMXZUGBSYDPT-WUVGXYFASA-K |
Mol Weight | 827.74030785 g/mol |
Molecular Formula | C34H24N5Na3O10S3 |
Exact Mass | 827.037838 g/mol |
SpectraBase Spectrum ID | KcBkn2ra7Lq |
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Name | (Phenylamino)-3-sulfo-2-naphthalenyl]azo]-2,5-1,5-Naphthalenedisulfonic acid, 3-[[4-[[1-hydroxy-6-Dimethylphenyl]azo]-, trisodium salt |
CAS Registry Number | 6227-11-8 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C34H24N5Na3O10S3 |
InChI | InChI=1S/C34H27N5O10S3.3Na/c1-19-14-29(20(2)13-28(19)37-36-24-17-27-26(31(18-24)51(44,45)46)9-6-10-30(27)50(41,42)43)38-39-33-32(52(47,48)49)16-21-15-23(11-12-25(21)34(33)40)35-22-7-4-3-5-8-22;;;/h3-18,35,40H,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b37-36+,39-38?;;; |
InChIKey | OVNMXZUGBSYDPT-WUVGXYFASA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |