sodium 8-methoxypyrene-1,3,6-trisulfonate

Properties Image MNX_ID MNXM161098 reference chebi:85381 formula C17H9Na3O10S3 global charge 0 mol weight 538.42 InChIKey GUGNSJAORJLKGP-UHFFFAOYSA-K InChI InChI=1S/C17H12O10S3.3Na/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11;;;/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3 SMILES COC1=C2C=CC3=C(S(=O)(=O)[O-])C=C(S(=O)(=O)[O-])C4=CC=C(C(S(=O)(=O)[O-])=C1)C2=C43.[Na+].[Na+].[Na+] MNX internals InChI (mnx) InChI=1/C17H12O10S3.3Na/c1-27-12-6-13(28(18,19)20)9-4-5-11-15(30(24,25)26)7-14(29(21,22)23)10-3-2-8(12)16(9)17(10)11;;;/h2-7H,1H3,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1 SMILES (mnx) [CH3:1][O:27][C:12]1=[C:8]2[CH:2]=[CH:3][C:10]3=[C:14]([S:29]([OH:21])(=[O:22])=[O:23])[CH:7]=[C:15]([S:30]([OH:24])(=[O:25])=[O:26])[C:11]4=[C:17]3[C:16]2=[C:9]([CH:4]=[CH:5]4)[C:13]([S:28]([OH:18])(=[O:19])=[O:20])=[CH:6]1.[Na+:31].[Na+:32].[Na+:33]

Parent-child relations graph

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