alizarin red S

Properties Image MNX_ID MNXM151921 reference chebi:87358 formula C14H7NaO7S global charge 0 mol weight 342.26 InChIKey HFVAFDPGUJEFBQ-UHFFFAOYSA-M InChI InChI=1S/C14H8O7S.Na/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;/h1-5,17-18H,(H,19,20,21);/q;+1/p-1 SMILES O=C1C2=C(C=CC=C2)C(=O)C2=C1C=C(S(=O)(=O)[O-])C(O)=C2O.[Na+] MNX internals InChI (mnx) InChI=1/C14H8O7S.Na/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18;/h1-5,17-18H,(H,19,20,21);/q;+1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:7]2[C:6](=[CH:3]1)[C:11](=[O:15])[C:8]1=[CH:5][C:9]([S:22]([OH:19])(=[O:20])=[O:21])=[C:13]([OH:17])[C:14]([OH:18])=[C:10]1[C:12]2=[O:16].[Na+:23]

Parent-child relations graph

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