SpectraBase Compound ID | BFXO3BlWaV4 |
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InChI | InChI=1S/C16H12N2O12S3.3Na/c19-11-2-1-8(31(22,23)24)5-10(11)17-18-15-13(33(28,29)30)4-7-3-9(32(25,26)27)6-12(20)14(7)16(15)21;;;/h1-6,19-21H,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3/b18-17+;;; |
InChIKey | XHCCWBJFZUXJBV-GLCFPVLVSA-K |
Mol Weight | 586.39930785 g/mol |
Molecular Formula | C16H9N2Na3O12S3 |
Exact Mass | 585.90107 g/mol |
SpectraBase Spectrum ID | GoB4teR0mfT |
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Name | 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-3-[(2-hydroxy-5-sulfophenyl)azo]-, trisodium salt |
CAS Registry Number | 3270-25-5 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C16H9N2Na3O12S3 |
InChI | InChI=1S/C16H12N2O12S3.3Na/c19-11-2-1-8(31(22,23)24)5-10(11)17-18-15-13(33(28,29)30)4-7-3-9(32(25,26)27)6-12(20)14(7)16(15)21;;;/h1-6,19-21H,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;3*+1/p-3/b18-17+;;; |
InChIKey | XHCCWBJFZUXJBV-GLCFPVLVSA-K |
Instrument Name | Bruker IFS 85 |
Synonyms | 2-Amino-1-phenol-4-sulfoacid->chromotropacid |
Technique | KBr-Pellet |