SpectraBase Compound ID | 4Nom7Whej5b |
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InChI | InChI=1S/C39H27N7O9S2.3Na/c40-34-14-15-36(31-20-27(56(50,51)52)10-12-29(31)34)45-46-37-17-16-35(30-13-11-28(21-32(30)37)57(53,54)55)44-42-25-7-3-23(4-8-25)22-1-5-24(6-2-22)41-43-26-9-18-38(47)33(19-26)39(48)49;;;/h1-21,47H,40H2,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b43-41+,44-42+,46-45?;;; |
InChIKey | RJDWQVFKQLBFBW-BWJOSJFQSA-K |
Mol Weight | 867.75030785 g/mol |
Molecular Formula | C39H24N7Na3O9S2 |
Exact Mass | 867.077001 g/mol |
SpectraBase Spectrum ID | 32XUYYXT2oH |
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Name | Azo]-6-sulfo-1-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-2-Benzoic acid, 5-[[4'-[[4-[(4-amino-7-sulfo-1-naphthalenyl)Hydroxy-, trisodium salt |
CAS Registry Number | 6360-29-8 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C39H24N7Na3O9S2 |
InChI | InChI=1S/C39H27N7O9S2.3Na/c40-34-14-15-36(31-20-27(56(50,51)52)10-12-29(31)34)45-46-37-17-16-35(30-13-11-28(21-32(30)37)57(53,54)55)44-42-25-7-3-23(4-8-25)22-1-5-24(6-2-22)41-43-26-9-18-38(47)33(19-26)39(48)49;;;/h1-21,47H,40H2,(H,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b43-41+,44-42+,46-45?;;; |
InChIKey | RJDWQVFKQLBFBW-BWJOSJFQSA-K |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |