alizarin cyanin BBS

Properties Image MNX_ID MNXM151920 reference chebi:87367 formula C14H6Na2O14S2 global charge 0 mol weight 508.302 InChIKey MACGOVWEZWQBMW-UHFFFAOYSA-L InChI InChI=1S/C14H8O14S2.2Na/c15-5-1-3(9(19)13(29(23,24)25)11(21)7(1)17)6(16)2-4(5)10(20)14(30(26,27)28)12(22)8(2)18;;/h17-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2 SMILES O=C1C2=C(C(=O)C3=C1C(O)=C(S(=O)(=O)[O-])C(O)=C3O)C(O)=C(S(=O)(=O)[O-])C(O)=C2O.[Na+].[Na+] MNX internals InChI (mnx) InChI=1/C14H8O14S2.2Na/c15-5-1-3(9(19)13(29(23,24)25)11(21)7(1)17)6(16)2-4(5)10(20)14(30(26,27)28)12(22)8(2)18;;/h17-22H,(H,23,24,25)(H,26,27,28);;/q;2*+1 SMILES (mnx) [C:1]12=[C:3]([C:6](=[O:16])[C:2]3=[C:4]([C:5]1=[O:15])[C:10]([OH:20])=[C:14]([S:30]([OH:26])(=[O:27])=[O:28])[C:12]([OH:22])=[C:8]3[OH:18])[C:9]([OH:19])=[C:13]([S:29]([OH:23])(=[O:24])=[O:25])[C:11]([OH:21])=[C:7]2[OH:17].[Na+:31].[Na+:32]

Parent-child relations graph

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