3-chloro-3,5-cyclohexadiene-l,2-diol-1-carboxylate

Properties Image MNX_ID MNXM9991 reference metacycM:CPD-10618 formula C7H6ClO4 global charge -1 mol weight 189.574 InChIKey IZIIPKDSDITVCR-CAHLUQPWSA-M InChI InChI=1S/C7H7ClO4/c8-4-2-1-3-7(12,5(4)9)6(10)11/h1-3,5,9,12H,(H,10,11)/p-1/t5-,7+/m0/s1 SMILES O=C([O-])[C@@]1(O)C=CC=C(Cl)[C@@H]1O MNX internals InChI (mnx) InChI=1/C7H7ClO4/c8-4-2-1-3-7(12,5(4)9)6(10)11/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C@@:7]([C:6](=[O:10])[OH:11])([OH:12])[C@@H:5]([OH:9])[C:4]([Cl:8])=[CH:2]1

Parent-child relations graph

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