SpectraBase Compound ID | DAjmL4Q5rtq |
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InChI | InChI=1S/C16H11N3O12S3.3Na/c20-16-14(34(29,30)31)6-8-5-9(32(23,24)25)1-3-11(8)15(16)18-17-12-4-2-10(33(26,27)28)7-13(12)19(21)22;;;/h1-7,20H,(H,23,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b18-17+;;; |
InChIKey | PUBYBULFVYETIN-GLCFPVLVSA-K |
Mol Weight | 599.39830785 g/mol |
Molecular Formula | C16H8N3Na3O12S3 |
Exact Mass | 598.896319 g/mol |
SpectraBase Spectrum ID | 5AblP4x9m1U |
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Name | 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(2-nitro-4-sulfophenyl)azo]-, trisodium salt |
CAS Registry Number | 5859-03-0 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C16H8N3Na3O12S3 |
InChI | InChI=1S/C16H11N3O12S3.3Na/c20-16-14(34(29,30)31)6-8-5-9(32(23,24)25)1-3-11(8)15(16)18-17-12-4-2-10(33(26,27)28)7-13(12)19(21)22;;;/h1-7,20H,(H,23,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b18-17+;;; |
InChIKey | PUBYBULFVYETIN-GLCFPVLVSA-K |
Instrument Name | Bruker IFS 85 |
Synonyms | 2-Nitroaniline-4-sulfonic acid->R=acid/tri-Na salt |
Technique | KBr-Pellet |