SpectraBase Compound ID | Dlplyk4cgPJ |
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InChI | InChI=1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);/q;+1/p-1 |
InChIKey | RAMNYUMITLZMIC-UHFFFAOYSA-M |
Mol Weight | 789.98176928 g/mol |
Molecular Formula | C43H48N3NaO6S2 |
Exact Mass | 789.288223 g/mol |
SpectraBase Spectrum ID | 3FLRAbkXASa |
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Name | Sodium 3-{[[4-([4-(diethylamino)phenyl]{4-[ethyl(3-sulfonatobenzyl)amino]-2-methylphenyl}methylene)-3-methyl-2,5-cyclohexadien-1-ylidene](ethyl)ammonio]methyl}benzenesulfonate |
Copyright | Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C43H48N3NaO6S2 |
InChI | InChI=1S/C43H49N3O6S2.Na/c1-7-44(8-2)36-19-17-35(18-20-36)43(41-23-21-37(25-31(41)5)45(9-3)29-33-13-11-15-39(27-33)53(47,48)49)42-24-22-38(26-32(42)6)46(10-4)30-34-14-12-16-40(28-34)54(50,51)52;/h11-28H,7-10,29-30H2,1-6H3,(H-,47,48,49,50,51,52);/q;+1/p-1 |
InChIKey | RAMNYUMITLZMIC-UHFFFAOYSA-M |
Instrument Name | Bruker IFS 85 |
Technique | KBr-Pellet |