SpectraBase Compound ID | DOIFkrdqwLN |
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InChI | InChI=1S/C36H33N13O7S2.2Na/c1-17-11-28(26(39)15-24(17)37)46-42-20-3-7-22(8-4-20)44-48-34-30(57(51,52)53)13-19-14-31(58(54,55)56)35(36(50)32(19)33(34)41)49-45-23-9-5-21(6-10-23)43-47-29-12-18(2)25(38)16-27(29)40;;/h3-16,50H,37-41H2,1-2H3,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b46-42?,47-43?,48-44+,49-45+;; |
InChIKey | IZYCYQJLJXEUPW-DJCDJLKSSA-L |
Mol Weight | 867.82753856 g/mol |
Molecular Formula | C36H31N13Na2O7S2 |
Exact Mass | 867.170621 g/mol |
SpectraBase Spectrum ID | JpPimUIe0Uo |
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Name | 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[4-[(2,4-diamino-5-methylphenyl)azo]phenyl]azo]-5-hydroxy-, disodium salt |
CAS Registry Number | 6745-67-1 |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C36H31N13Na2O7S2 |
InChI | InChI=1S/C36H33N13O7S2.2Na/c1-17-11-28(26(39)15-24(17)37)46-42-20-3-7-22(8-4-20)44-48-34-30(57(51,52)53)13-19-14-31(58(54,55)56)35(36(50)32(19)33(34)41)49-45-23-9-5-21(6-10-23)43-47-29-12-18(2)25(38)16-27(29)40;;/h3-16,50H,37-41H2,1-2H3,(H,51,52,53)(H,54,55,56);;/q;2*+1/p-2/b46-42?,47-43?,48-44+,49-45+;; |
InChIKey | IZYCYQJLJXEUPW-DJCDJLKSSA-L |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |