SpectraBase Compound ID | 9UJ2Vi64eKb |
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InChI | InChI=1S/C38H33N11O8S.3Na/c39-30-17-26(41-19-35(50)51)11-13-32(30)47-44-24-7-3-22(4-8-24)43-23-5-9-25(10-6-23)45-49-37-34(58(55,56)57)15-21-1-2-28(16-29(21)38(37)54)46-48-33-14-12-27(18-31(33)40)42-20-36(52)53;;;/h1-18,41-43,54H,19-20,39-40H2,(H,50,51)(H,52,53)(H,55,56,57);;;/q;3*+1/p-3/b47-44+,48-46-,49-45+;;; |
InChIKey | UQMIFVVRXBDMKK-WEJNBEEFSA-K |
Mol Weight | 869.75630785 g/mol |
Molecular Formula | C38H30N11Na3O8S |
Exact Mass | 869.169261 g/mol |
SpectraBase Spectrum ID | BaPaIeVEbHi |
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Name | Glycine, N-[3-amino-4-[[4-[[4-[[7-[[2-amino-4-[(carboxymethyl)amino]phenyl]azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]phenyl]azo]phenyl]-, trisodium salt |
CAS Registry Number | 6487-02-1 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C38H30N11Na3O8S |
InChI | InChI=1S/C38H33N11O8S.3Na/c39-30-17-26(41-19-35(50)51)11-13-32(30)47-44-24-7-3-22(4-8-24)43-23-5-9-25(10-6-23)45-49-37-34(58(55,56)57)15-21-1-2-28(16-29(21)38(37)54)46-48-33-14-12-27(18-31(33)40)42-20-36(52)53;;;/h1-18,41-43,54H,19-20,39-40H2,(H,50,51)(H,52,53)(H,55,56,57);;;/q;3*+1/p-3/b47-44+,48-46-,49-45+;;; |
InChIKey | UQMIFVVRXBDMKK-WEJNBEEFSA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |