Source:http://linkedlifedata.com/resource/chebi/id/CHEBI:52177
| Predicate | Object |
|---|---|
| rdf:type | |
| skos:definition |
"An organic potassium salt that has formula C36H42K2N2O11S3." []
|
| skos:inScheme | |
| skos:prefLabel |
NIR-3 dye
|
| skos:altLabel |
dipotassium 2-{7-[5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)-1,3-dihydro-2H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indolium-5-sulfonate,
dipotassium 2-{7-[5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)-3H-indolium-2-yl]hepta-2,4,6-trien-1-ylidene}-3,3-dimethyl-1-(4-sulfonatobutyl)indoline-5-sulfonate
|
| skos:notation |
Patent:WO03082988 "Patent"
|
| skos:broader | |
| skos:relatedSynonym |
Near infrared 3,
Near infrared cromophore 3,
NIR3,
C36H42K2N2O11S3,
[K+].[K+].[H]C(=CC([H])=CC([H])=C1N(CCCCS([O-])(=O)=O)c2ccc(cc2C1(C)C)C(O)=O)C=C([H])C1=[N+](CCCCS([O-])(=O)=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O,
InChI=1S/C36H44N2O11S3.2K/c1-35(2)28-24-26(34(39)40)16-18-30(28)37(20-10-12-22-50(41,42)43)32(35)14-8-6-5-7-9-15-33-36(3,4)29-25-27(52(47,48)49)17-19-31(29)38(33)21-11-13-23-51(44,45)46;;/h5-9,14-19,24-25H,10-13,20-23H2,1-4H3,(H3-,39,40,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2,
InChIKey=XULWNLNVIZGOMP-UHFFFAOYSA-L
|