etacrynic acid

Properties Image MNX_ID MNXM104962 reference chebi:4876 formula C13H12Cl2O4 global charge 0 mol weight 303.141 InChIKey AVOLMBLBETYQHX-UHFFFAOYSA-N InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) SMILES C=C(CC)C(=O)C1=C(Cl)C(Cl)=C(OCC(=O)O)C=C1 MNX internals InChI (mnx) InChI=1/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) SMILES (mnx) [CH3:1][CH2:3][C:7](=[CH2:2])[C:13]([C:8]1=[C:11]([Cl:14])[C:12]([Cl:15])=[C:9]([O:19][CH2:6][C:10](=[O:16])[OH:17])[CH:5]=[CH:4]1)=[O:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0