SpectraBase Compound ID | KCddnzApU5p |
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InChI | InChI=1S/C36H25N5O10S3.3Na/c42-36-25-12-10-23(37-22-6-2-1-3-7-22)18-21(25)19-34(54(49,50)51)35(36)41-40-31-15-14-30(26-8-4-5-9-27(26)31)38-39-32-16-17-33(53(46,47)48)28-13-11-24(20-29(28)32)52(43,44)45;;;/h1-20,37,42H,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-38+,41-40?;;; |
InChIKey | DEVINFRZLYHCPS-VXWKDTFZSA-K |
Mol Weight | 849.74630785 g/mol |
Molecular Formula | C36H22N5Na3O10S3 |
Exact Mass | 849.022188 g/mol |
SpectraBase Spectrum ID | 3adSE5UqSDC |
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Name | 1,6-Naphthalenedisulfonic acid, 4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-1-naphthalenyl]azo]-, trisodium salt |
CAS Registry Number | 6492-60-0 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C36H22N5Na3O10S3 |
InChI | InChI=1S/C36H25N5O10S3.3Na/c42-36-25-12-10-23(37-22-6-2-1-3-7-22)18-21(25)19-34(54(49,50)51)35(36)41-40-31-15-14-30(26-8-4-5-9-27(26)31)38-39-32-16-17-33(53(46,47)48)28-13-11-24(20-29(28)32)52(43,44)45;;;/h1-20,37,42H,(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-38+,41-40?;;; |
InChIKey | DEVINFRZLYHCPS-VXWKDTFZSA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |