SpectraBase Compound ID | IJ5A1prxpED |
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InChI | InChI=1S/C44H32N6O10S2.2Na/c1-23-20-25(26-11-14-32(24(2)21-26)46-50-36-22-40(62(58,59)60)29-8-5-9-37(51)41(29)44(36)54)10-13-31(23)45-47-33-16-17-34(28-7-4-3-6-27(28)33)48-49-35-15-12-30-39(61(55,56)57)19-18-38(52)42(30)43(35)53;;/h3-22,51-54H,1-2H3,(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/b47-45+,49-48-,50-46+;; |
InChIKey | HZSMCAQKMYFANZ-AQSQZQAISA-L |
Mol Weight | 912.85553856 g/mol |
Molecular Formula | C44H30N6Na2O10S2 |
Exact Mass | 912.126022 g/mol |
SpectraBase Spectrum ID | mxSS1AV2Fv |
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Name | 1-Naphthylamine]->(2)4,5-dihydroxy-1-naphthalinsulfonic acid |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C44H30N6Na2O10S2 |
InChI | InChI=1S/C44H32N6O10S2.2Na/c1-23-20-25(26-11-14-32(24(2)21-26)46-50-36-22-40(62(58,59)60)29-8-5-9-37(51)41(29)44(36)54)10-13-31(23)45-47-33-16-17-34(28-7-4-3-6-27(28)33)48-49-35-15-12-30-39(61(55,56)57)19-18-38(52)42(30)43(35)53;;/h3-22,51-54H,1-2H3,(H,55,56,57)(H,58,59,60);;/q;2*+1/p-2/b47-45+,49-48-,50-46+;; |
InChIKey | HZSMCAQKMYFANZ-AQSQZQAISA-L |
Instrument Name | Bruker IFS 85 |
Synonyms | 4,5-Dihydroxy-1-naphthalinsulfonacid(2)[-[o-tolidine-](1) |
Technique | KBr-Pellet |