5-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid

Properties Image MNX_ID MNXM37984 reference chebi:45457 formula C19H16N8O10S3 global charge 0 mol weight 612.584 InChIKey LOCFSBZWHQIILX-CYYJNZCTSA-N InChI InChI=1S/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+ SMILES NC1=NC(N)=NC(NC2=CC(S(=O)(=O)O)=CC3=C2C(O)=C(/N=N/C2=CC=CC=C2S(=O)(=O)O)C(S(=O)(=O)O)=C3)=N1 MNX internals InChI (mnx) InChI=1/C19H16N8O10S3/c20-17-23-18(21)25-19(24-17)22-11-7-9(38(29,30)31)5-8-6-13(40(35,36)37)15(16(28)14(8)11)27-26-10-3-1-2-4-12(10)39(32,33)34/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H5,20,21,22,23,24,25)/b27-26+ SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:12]([S:39]([OH:32])(=[O:33])=[O:34])[C:10](/[N:26]=[N:27]/[C:15]2=[C:16]([OH:28])[C:14]3=[C:11]([N:22]=[C:19]4[NH:24][C:17](=[NH:20])[NH:23][C:18](=[NH:21])[NH:25]4)[CH:7]=[C:9]([S:38]([OH:29])(=[O:30])=[O:31])[CH:5]=[C:8]3[CH:6]=[C:13]2[S:40]([OH:35])(=[O:36])=[O:37])=[CH:3]1

Parent-child relations graph

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