SpectraBase Compound ID | JAM7PZdKEvq |
---|---|
InChI | InChI=1S/C47H40N2O6S2.Na/c50-56(51,52)44-29-30-45(46(31-44)57(53,54)55)47(40-21-25-42(26-22-40)48(32-36-13-5-1-6-14-36)33-37-15-7-2-8-16-37)41-23-27-43(28-24-41)49(34-38-17-9-3-10-18-38)35-39-19-11-4-12-20-39;/h1-31H,32-35H2,(H-,50,51,52,53,54,55);/q;+1/p-1 |
InChIKey | KQRZWHVIXVADGL-UHFFFAOYSA-M |
Mol Weight | 814.94676928 g/mol |
Molecular Formula | C47H39N2NaO6S2 |
Exact Mass | 814.214724 g/mol |
SpectraBase Spectrum ID | 2ipPfkLQRpW |
---|---|
Name | Sodium 4-{[4-(dibenzylamino)phenyl][4-(dibenzyliminio)-2,5-cyclohexadien-1-ylidene]methyl}-1,3-benzenedisulfonate |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C47H39N2NaO6S2 |
InChI | InChI=1S/C47H40N2O6S2.Na/c50-56(51,52)44-29-30-45(46(31-44)57(53,54)55)47(40-21-25-42(26-22-40)48(32-36-13-5-1-6-14-36)33-37-15-7-2-8-16-37)41-23-27-43(28-24-41)49(34-38-17-9-3-10-18-38)35-39-19-11-4-12-20-39;/h1-31H,32-35H2,(H-,50,51,52,53,54,55);/q;+1/p-1 |
InChIKey | KQRZWHVIXVADGL-UHFFFAOYSA-M |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |