![Benzenesulfonic acid, 3-chloro-4-[[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl][3-methyl-4-[[(3-sulfophenyl)methyl]imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt](/api/spectrum/3LaRNu50zH0/structure.png?h=300&w=458 "Benzenesulfonic acid, 3-chloro-4-[[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl][3-methyl-4-[[(3-sulfophenyl)methyl]imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt")
| SpectraBase Compound ID | DBgd1IxqHC |
|---|---|
| InChI | InChI=1S/C35H31ClN2O9S3.2Na/c1-22-15-26(9-13-33(22)37-20-24-5-3-7-28(17-24)48(39,40)41)35(31-12-11-30(19-32(31)36)50(45,46)47)27-10-14-34(23(2)16-27)38-21-25-6-4-8-29(18-25)49(42,43)44;;/h3-19,37H,20-21H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2 |
| InChIKey | KERXREYENHQFOW-UHFFFAOYSA-L |
| Mol Weight | 799.23453856 g/mol |
| Molecular Formula | C35H29ClN2Na2O9S3 |
| Exact Mass | 798.05191 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | 3LaRNu50zH0 |
|---|---|
| Name | Benzenesulfonic acid, 3-chloro-4-[[3-methyl-4-[[(3-sulfophenyl)methyl]amino]phenyl][3-methyl-4-[[(3-sulfophenyl)methyl]imino]-2,5-cyclohexadien-1-ylidene]methyl]-, disodium salt |
| CAS Registry Number | 5844-09-7 |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C35H29ClN2Na2O9S3 |
| InChI | InChI=1S/C35H31ClN2O9S3.2Na/c1-22-15-26(9-13-33(22)37-20-24-5-3-7-28(17-24)48(39,40)41)35(31-12-11-30(19-32(31)36)50(45,46)47)27-10-14-34(23(2)16-27)38-21-25-6-4-8-29(18-25)49(42,43)44;;/h3-19,37H,20-21H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2 |
| InChIKey | KERXREYENHQFOW-UHFFFAOYSA-L |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |