SpectraBase Compound ID | 4RaUShmHhQh |
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InChI | InChI=1S/C33H25N7O9S2.2Na/c1-19-29(33(43)40(39-19)25-12-14-26(15-13-25)50(44,45)46)37-36-23-9-7-20(8-10-23)32(42)34-24-11-16-27-21(17-24)18-28(51(47,48)49)30(31(27)41)38-35-22-5-3-2-4-6-22;;/h2-18,41,43H,1H3,(H,34,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b37-36-,38-35-;; |
InChIKey | AWHMOENDENFZJH-VOXIGMDTSA-L |
Mol Weight | 771.68653856 g/mol |
Molecular Formula | C33H23N7Na2O9S2 |
Exact Mass | 771.079406 g/mol |
SpectraBase Spectrum ID | L1LY8v2IHjN |
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Name | 2-Naphthalenesulfonic acid, 7-[[4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]benzoyl]amino]-4-hydroxy-3-(phenylazo)-, disodium salt |
CAS Registry Number | 5852-27-7 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C33H23N7Na2O9S2 |
InChI | InChI=1S/C33H25N7O9S2.2Na/c1-19-29(33(43)40(39-19)25-12-14-26(15-13-25)50(44,45)46)37-36-23-9-7-20(8-10-23)32(42)34-24-11-16-27-21(17-24)18-28(51(47,48)49)30(31(27)41)38-35-22-5-3-2-4-6-22;;/h2-18,41,43H,1H3,(H,34,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b37-36-,38-35-;; |
InChIKey | AWHMOENDENFZJH-VOXIGMDTSA-L |
Instrument Name | Bruker IFS 85 |
Synonyms | Aniline->N-p-aminobenzoyl-J=acid->3-methyl-1-(p-sulfophenyl)-5-pyrazolon |
Technique | KBr-Pellet |