Ipodate Sodium

Properties Image MNX_ID MNXM161169 reference chebi:5953 formula C12H12I3N2NaO2 global charge 0 mol weight 619.942 InChIKey ZFHZUGUCWJVEQC-FPUQOWELSA-M InChI InChI=1S/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1/b16-6+; SMILES CN(C)/C=N/C1=C(I)C(CCC(=O)[O-])=C(I)C=C1I.[Na+] MNX internals InChI (mnx) InChI=1/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/b16-6+; SMILES (mnx) [CH3:1][N:17]([CH3:2])/[CH:6]=[N:16]/[C:12]1=[C:9]([I:14])[CH:5]=[C:8]([I:13])[C:7]([CH2:3][CH2:4][C:10](=[O:18])[OH:19])=[C:11]1[I:15].[Na+:20]

Parent-child relations graph

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