![2-Naphthalenesulfonic acid, 6-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-3-[(2,4-dimethylphenyl)azo-4-hydroxy-, disodium salt](/api/spectrum/4nwuboPTVXS/structure.png?h=300&w=458 "2-Naphthalenesulfonic acid, 6-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-3-[(2,4-dimethylphenyl)azo-4-hydroxy-, disodium salt")
| SpectraBase Compound ID | BU5UrC7C3Ug |
|---|---|
| InChI | InChI=1S/C42H33N7O10S2.2Na/c1-22-3-16-34(23(2)17-22)47-49-38-35(60(54,55)56)19-26-8-13-31(21-33(26)40(38)51)45-42(53)25-6-11-29(12-7-25)46-48-37-36(61(57,58)59)20-27-18-30(14-15-32(27)39(37)50)44-41(52)24-4-9-28(43)10-5-24;;/h3-21,50-51H,43H2,1-2H3,(H,44,52)(H,45,53)(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2/b48-46-,49-47-;; |
| InChIKey | QGXYVNWCSDTBQT-KXEGWGEUSA-L |
| Mol Weight | 903.84853856 g/mol |
| Molecular Formula | C42H31N7Na2O10S2 |
| Exact Mass | 903.136921 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 4nwuboPTVXS |
|---|---|
| Name | 2-Naphthalenesulfonic acid, 6-[[4-[[6-[(4-aminobenzoyl)amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]benzoyl]amino]-3-[(2,4-dimethylphenyl)azo-4-hydroxy-, disodium salt |
| CAS Registry Number | 5914-63-6 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H31N7Na2O10S2 |
| InChI | InChI=1S/C42H33N7O10S2.2Na/c1-22-3-16-34(23(2)17-22)47-49-38-35(60(54,55)56)19-26-8-13-31(21-33(26)40(38)51)45-42(53)25-6-11-29(12-7-25)46-48-37-36(61(57,58)59)20-27-18-30(14-15-32(27)39(37)50)44-41(52)24-4-9-28(43)10-5-24;;/h3-21,50-51H,43H2,1-2H3,(H,44,52)(H,45,53)(H,54,55,56)(H,57,58,59);;/q;2*+1/p-2/b48-46-,49-47-;; |
| InChIKey | QGXYVNWCSDTBQT-KXEGWGEUSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |