SpectraBase Compound ID | CC78UlmictZ |
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InChI | InChI=1S/C18H14N2O9S2.3Na/c1-9-4-12(7-15(17(9)21)18(22)23)20-19-11-2-3-14-10(5-11)6-13(30(24,25)26)8-16(14)31(27,28)29;;;/h2-8,21H,1H3,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b20-19+;;; |
InChIKey | RFNDLEZLWJISNE-HVARVCSCSA-K |
Mol Weight | 532.38030785 g/mol |
Molecular Formula | C18H11N2Na3O9S2 |
Exact Mass | 531.959905 g/mol |
SpectraBase Spectrum ID | ILRBMhOFau1 |
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Name | Benzoic acid, 5-[(5,7-disulfo-2-naphthalenyl)azo]-2-hydroxy-3-methyl, trisodium salt |
CAS Registry Number | 6408-94-2 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C18H11N2Na3O9S2 |
InChI | InChI=1S/C18H14N2O9S2.3Na/c1-9-4-12(7-15(17(9)21)18(22)23)20-19-11-2-3-14-10(5-11)6-13(30(24,25)26)8-16(14)31(27,28)29;;;/h2-8,21H,1H3,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b20-19+;;; |
InChIKey | RFNDLEZLWJISNE-HVARVCSCSA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |