SpectraBase Compound ID | 7lfP38mDMbf |
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InChI | InChI=1S/C38H30N12O6S2.2Na/c39-27-17-29(41)35(49-45-31-12-14-37(57(51,52)53)25-10-3-1-8-23(25)31)19-33(27)47-43-21-6-5-7-22(16-21)44-48-34-20-36(30(42)18-28(34)40)50-46-32-13-15-38(58(54,55)56)26-11-4-2-9-24(26)32;;/h1-20H,39-42H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b47-43+,48-44+,49-45+,50-46+;; |
InChIKey | XKQCZLOXRFAXMZ-DUBJKWQNSA-L |
Mol Weight | 858.81953856 g/mol |
Molecular Formula | C38H28N12Na2O6S2 |
Exact Mass | 858.149158 g/mol |
SpectraBase Spectrum ID | A3irGJhKnvQ |
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Name | 1-Naphthalenesulfonic acid, 4,4'-m-phenylenebis[azo(4,6-diamino-m-phenylene)azo]di-, disodium salt |
CAS Registry Number | 6417-95-4 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C38H28N12Na2O6S2 |
InChI | InChI=1S/C38H30N12O6S2.2Na/c39-27-17-29(41)35(49-45-31-12-14-37(57(51,52)53)25-10-3-1-8-23(25)31)19-33(27)47-43-21-6-5-7-22(16-21)44-48-34-20-36(30(42)18-28(34)40)50-46-32-13-15-38(58(54,55)56)26-11-4-2-9-24(26)32;;/h1-20H,39-42H2,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b47-43+,48-44+,49-45+,50-46+;; |
InChIKey | XKQCZLOXRFAXMZ-DUBJKWQNSA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |