BODIPY TR methyl ester

Properties Image MNX_ID MNXM44530 reference chebi:51935 formula C22H17BF2N2O3S global charge 0 mol weight 438.264 InChIKey HQMDVGPFFTVIIE-UHFFFAOYSA-N InChI InChI=1S/C22H17BF2N2O3S/c1-29-22(28)14-30-18-8-4-15(5-9-18)19-10-6-16-13-17-7-11-20(21-3-2-12-31-21)27(17)23(24,25)26(16)19/h2-13H,14H2,1H3 SMILES COC(=O)COC1=CC=C(C2=[N+]3C(=CC4=CC=C(C5=CC=CS5)N4[B-]3(F)F)C=C2)C=C1 MNX internals InChI (mnx) InChI=1/C22H17BF2N2O3S/c1-29-22(28)14-30-18-8-4-15(5-9-18)19-10-6-16-13-17-7-11-20(21-3-2-12-31-21)27(17)23(24,25)26(16)19/h2-13H,14H2,1H3 SMILES (mnx) [CH3:1][O:29][C:22]([CH2:14][O+:30]=[C:18]1[CH:8]=[CH:4][C:15](=[C:19]2[CH:10]=[CH:6][C:16]3=[CH:13][C:17]4=[CH:7][CH:11]=[C:20]([C:21]5=[CH:3][CH:2]=[CH:12][S:31]5)[N:27]4[B-:23]([F:24])([F:25])[N:26]32)[CH:5]=[CH:9]1)=[O:28]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0