SpectraBase Compound ID | 617TxziAY1d |
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InChI | InChI=1S/C27H20ClN5O8S2.2Na/c1-41-24-13-23(19(28)12-20(24)29)32-30-22-9-8-21(17-7-6-15(11-18(17)22)42(35,36)37)31-33-26-25(43(38,39)40)10-14-4-2-3-5-16(14)27(26)34;;/h2-13,34H,29H2,1H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b32-30+,33-31+;; |
InChIKey | OUHCNMBSERAIKD-WKLYGGTQSA-L |
Mol Weight | 686.02053856 g/mol |
Molecular Formula | C27H18ClN5Na2O8S2 |
Exact Mass | 685.008071 g/mol |
SpectraBase Spectrum ID | 38SopH63bY |
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Name | 2-Naphthalenesulfonic acid, 3-[[4-[(4-amino-2-chloro-5-methoxyphenyl)azo]-6-sulfo-1-naphthalenyl]azo]-4-hydroxy-, disodium salt |
CAS Registry Number | 6252-59-1 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C27H18ClN5Na2O8S2 |
InChI | InChI=1S/C27H20ClN5O8S2.2Na/c1-41-24-13-23(19(28)12-20(24)29)32-30-22-9-8-21(17-7-6-15(11-18(17)22)42(35,36)37)31-33-26-25(43(38,39)40)10-14-4-2-3-5-16(14)27(26)34;;/h2-13,34H,29H2,1H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2/b32-30+,33-31+;; |
InChIKey | OUHCNMBSERAIKD-WKLYGGTQSA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |