![Sodium 3-{[4-((1-methyl-2-phenyl-1H-indol-3-yl){4-[(3-sulfonatophenyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene]ammonio}benzenesulfonate](/api/spectrum/JkvLGmaUB3x/structure.png?h=300&w=458 "Sodium 3-{[4-((1-methyl-2-phenyl-1H-indol-3-yl){4-[(3-sulfonatophenyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene]ammonio}benzenesulfonate")
| SpectraBase Compound ID | AGh5aSPMYv2 |
|---|---|
| InChI | InChI=1S/C40H31N3O6S2.Na/c1-43-37-16-6-5-15-36(37)39(40(43)29-9-3-2-4-10-29)38(27-17-21-30(22-18-27)41-32-11-7-13-34(25-32)50(44,45)46)28-19-23-31(24-20-28)42-33-12-8-14-35(26-33)51(47,48)49;/h2-26,41H,1H3,(H,44,45,46)(H,47,48,49);/q;+1/p-1/b38-28-,42-31+; |
| InChIKey | VECYGTYRUMHIBW-PMRQHOTLSA-M |
| Mol Weight | 735.80476928 g/mol |
| Molecular Formula | C40H30N3NaO6S2 |
| Exact Mass | 735.147372 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | JkvLGmaUB3x |
|---|---|
| Name | Sodium 3-{[4-((1-methyl-2-phenyl-1H-indol-3-yl){4-[(3-sulfonatophenyl)amino]phenyl}methylene)-2,5-cyclohexadien-1-ylidene]ammonio}benzenesulfonate |
| Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C40H30N3NaO6S2 |
| InChI | InChI=1S/C40H31N3O6S2.Na/c1-43-37-16-6-5-15-36(37)39(40(43)29-9-3-2-4-10-29)38(27-17-21-30(22-18-27)41-32-11-7-13-34(25-32)50(44,45)46)28-19-23-31(24-20-28)42-33-12-8-14-35(26-33)51(47,48)49;/h2-26,41H,1H3,(H,44,45,46)(H,47,48,49);/q;+1/p-1/b38-28-,42-31+; |
| InChIKey | VECYGTYRUMHIBW-PMRQHOTLSA-M |
| Instrument Name | Bruker IFS 85 |
| Technique | KBr-Pellet |