![Benzenesulfonic acid, 3-[[[4-[bis[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]amino]methyl]-, disodium salt](/api/spectrum/Ef57fQjwDVA/structure.png?h=300&w=458 "Benzenesulfonic acid, 3-[[[4-[bis[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]amino]methyl]-, disodium salt")
| SpectraBase Compound ID | 39a46wLvFDg |
|---|---|
| InChI | InChI=1S/C43H41N3O9S3.2Na/c1-28-19-34(13-16-40(28)44-25-31-7-4-10-37(22-31)56(47,48)49)43(35-14-17-41(29(2)20-35)45-26-32-8-5-11-38(23-32)57(50,51)52)36-15-18-42(30(3)21-36)46-27-33-9-6-12-39(24-33)58(53,54)55;;/h4-24,44-45H,25-27H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2 |
| InChIKey | SDTRRCMDBZEFQM-UHFFFAOYSA-L |
| Mol Weight | 883.95653856 g/mol |
| Molecular Formula | C43H39N3Na2O9S3 |
| Exact Mass | 883.164382 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Ef57fQjwDVA |
|---|---|
| Name | Benzenesulfonic acid, 3-[[[4-[bis[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl]methylene]-2-methyl-2,5-cyclohexadien-1-ylidene]amino]methyl]-, disodium salt |
| CAS Registry Number | 5844-06-4 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C43H39N3Na2O9S3 |
| InChI | InChI=1S/C43H41N3O9S3.2Na/c1-28-19-34(13-16-40(28)44-25-31-7-4-10-37(22-31)56(47,48)49)43(35-14-17-41(29(2)20-35)45-26-32-8-5-11-38(23-32)57(50,51)52)36-15-18-42(30(3)21-36)46-27-33-9-6-12-39(24-33)58(53,54)55;;/h4-24,44-45H,25-27H2,1-3H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;/q;2*+1/p-2 |
| InChIKey | SDTRRCMDBZEFQM-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |