compound 0215137

Properties Image MNX_ID MNXM1179929 reference envipathM:...f4e80de4fa89 formula C10H13ClO6 global charge -2 mol weight 264.661 InChIKey PGPXDZUFVXOEOJ-AATRIKPKSA-L InChI InChI=1S/C10H15ClO6/c1-2-3-4-5(9(14)15)6(11)7(12)8(13)10(16)17/h7-8,12-13H,2-4H2,1H3,(H,14,15)(H,16,17)/p-2/b6-5+ SMILES CCCC/C(C(=O)[O-])=C(\Cl)C(O)C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H15ClO6/c1-2-3-4-5(9(14)15)6(11)7(12)8(13)10(16)17/h7-8,12-13H,2-4H2,1H3,(H,14,15)(H,16,17)/b6-5+/t7?,8? SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4]/[C:5](=[C:6](/[CH:7]([CH:8]([C:10](=[O:16])[OH:17])[OH:13])[OH:12])[Cl:11])[C:9](=[O:14])[OH:15]

Parent-child relations graph

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