tartrazine(3-)

Properties Image MNX_ID MNXM161411 reference chebi:68628 formula C16H9N4O9S2 global charge -3 mol weight 465.401 InChIKey RFKITWRHKUYMRJ-ISLYRVAYSA-K InChI InChI=1S/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)/p-3/b18-17+ SMILES O=C([O-])C1=NN(C2=CC=C(S(=O)(=O)[O-])C=C2)C(=O)C1/N=N/C1=CC=C(S(=O)(=O)[O-])C=C1 MNX internals InChI (mnx) InChI=1/C16H12N4O9S2/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29/h1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29)/b18-17+/t13? SMILES (mnx) [CH:1]1=[CH:5][C:11]([S:30]([OH:24])(=[O:25])=[O:26])=[CH:6][CH:2]=[C:9]1/[N:17]=[N:18]/[CH:13]1[C:14]([C:16]([OH:22])=[O:23])=[N:19][N:20]([C:10]2=[CH:4][CH:8]=[C:12]([S:31]([OH:27])(=[O:28])=[O:29])[CH:7]=[CH:3]2)[C:15]1=[O:21]

Parent-child relations graph

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