compound 0215119

Properties Image MNX_ID MNXM1193597 reference envipathM:...b162bc7680f6 formula C9H12ClO5 global charge -1 mol weight 235.643 InChIKey ZAPCYYXTUGESFJ-XQRVVYSFSA-M InChI InChI=1S/C9H13ClO5/c10-6(4-2-1-3-5-11)7(12)8(13)9(14)15/h4,7,11-12H,1-3,5H2,(H,14,15)/p-1/b6-4- SMILES O=C([O-])C(=O)C(O)/C(Cl)=C/CCCCO MNX internals InChI (mnx) InChI=1/C9H13ClO5/c10-6(4-2-1-3-5-11)7(12)8(13)9(14)15/h4,7,11-12H,1-3,5H2,(H,14,15)/b6-4-/t7? SMILES (mnx) [CH2:1]([CH2:2]/[CH:4]=[C:6](/[CH:7]([C:8]([C:9]([OH:14])=[O:15])=[O:13])[OH:12])[Cl:10])[CH2:3][CH2:5][OH:11]

Parent-child relations graph

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