SpectraBase Compound ID | Lmxn4Dv8rKf |
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InChI | InChI=1S/C31H30N4O9S2.2Na/c1-19(36)35(22-10-6-3-7-11-22)23-14-12-21(13-15-23)33-34-29-27(46(42,43)44)18-24-26(45(39,40)41)17-16-25(28(24)30(29)37)32-31(38)20-8-4-2-5-9-20;;/h2,4-5,8-9,12-18,22,37H,3,6-7,10-11H2,1H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b34-33+;; |
InChIKey | VRBIXDZGJIAZKR-ZIJRHPRESA-L |
Mol Weight | 710.68353856 g/mol |
Molecular Formula | C31H28N4Na2O9S2 |
Exact Mass | 710.109309 g/mol |
SpectraBase Spectrum ID | 76HheBiBGz7 |
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Name | (Acetylcyclohexylamino)phenyl]azo]-4-(benzoylamino)-5-1,7-Naphthalenedisulfonic acid, 6-[[4-p-Amino-N-cyclohexylacetanilide->N-benzoyl-K=acid |
CAS Registry Number | 6417-35-2 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C31H28N4Na2O9S2 |
InChI | InChI=1S/C31H30N4O9S2.2Na/c1-19(36)35(22-10-6-3-7-11-22)23-14-12-21(13-15-23)33-34-29-27(46(42,43)44)18-24-26(45(39,40)41)17-16-25(28(24)30(29)37)32-31(38)20-8-4-2-5-9-20;;/h2,4-5,8-9,12-18,22,37H,3,6-7,10-11H2,1H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b34-33+;; |
InChIKey | VRBIXDZGJIAZKR-ZIJRHPRESA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |