Products 3036456-18-2
CAS 3036456-18-2 is the registry number for NIR-BG2. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S,3R,4S,5R,6R)-2-[4-[[2-(difluoromethyl)-5-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-7,8-dihydro-6H-xanthen-3-yl]oxymethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 3036456-18-2) is a chemical compound with the molecular formula C42H46F2NO8+ and a molecular weight of 730.8 g/mol. IUPAC name: (2S,3R,4S,5R,6R)-2-[4-[[2-(difluoromethyl)-5-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-7,8-dihydro-6H-xanthen-3-yl]oxymethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: ZNRWLYUUVWBJEH-HGHRUTHGSA-N.
| Molecular formula | C42H46F2NO8+ |
|---|---|
| Molecular weight | 730.8 g/mol |
| IUPAC name | (2S,3R,4S,5R,6R)-2-[4-[[2-(difluoromethyl)-5-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-7,8-dihydro-6H-xanthen-3-yl]oxymethyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChIKey | ZNRWLYUUVWBJEH-HGHRUTHGSA-N |
| SMILES | CCC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C3=C4C(=CC5=CC(=C(C=C5O4)OCC6=CC=C(C=C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)C(F)F)CCC3 |
Computed by PubChem (NCBI)
Synonyms:
orb3141769