![Ethanesulfonic acid, 2-[[4-[[4-[(4-ethoxyphenyl)amino]phenyl][3-methyl-4-[(2-sulfoethyl)amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]amino]-, monosodium salt](/api/spectrum/Js0TEg93aaI/structure.png?h=300&w=458 "Ethanesulfonic acid, 2-[[4-[[4-[(4-ethoxyphenyl)amino]phenyl][3-methyl-4-[(2-sulfoethyl)amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]amino]-, monosodium salt")
| SpectraBase Compound ID | 5ZUcDRep0Hk |
|---|---|
| InChI | InChI=1S/C33H37N3O7S2.Na/c1-4-43-30-13-11-29(12-14-30)36-28-9-5-25(6-10-28)33(26-7-15-31(23(2)21-26)34-17-19-44(37,38)39)27-8-16-32(24(3)22-27)35-18-20-45(40,41)42;/h5-16,21-22,34,36H,4,17-20H2,1-3H3,(H,37,38,39)(H,40,41,42);/q;+1/p-1/b33-27+,35-32-; |
| InChIKey | QUQOOMSTSKTARK-WZTCNLRVSA-M |
| Mol Weight | 673.77476928 g/mol |
| Molecular Formula | C33H36N3NaO7S2 |
| Exact Mass | 673.189237 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Js0TEg93aaI |
|---|---|
| Name | Ethanesulfonic acid, 2-[[4-[[4-[(4-ethoxyphenyl)amino]phenyl][3-methyl-4-[(2-sulfoethyl)amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]amino]-, monosodium salt |
| CAS Registry Number | 5844-14-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C33H36N3NaO7S2 |
| InChI | InChI=1S/C33H37N3O7S2.Na/c1-4-43-30-13-11-29(12-14-30)36-28-9-5-25(6-10-28)33(26-7-15-31(23(2)21-26)34-17-19-44(37,38)39)27-8-16-32(24(3)22-27)35-18-20-45(40,41)42;/h5-16,21-22,34,36H,4,17-20H2,1-3H3,(H,37,38,39)(H,40,41,42);/q;+1/p-1/b33-27+,35-32-; |
| InChIKey | QUQOOMSTSKTARK-WZTCNLRVSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |