3-chlorobenzoate-cis-3,4-diol

Properties Image MNX_ID MNXM9993 reference metacycM:CPD-11221 formula C7H6ClO4 global charge -1 mol weight 189.574 InChIKey XEMKTGYOKZODKM-CAHLUQPWSA-M InChI InChI=1S/C7H7ClO4/c8-7(12)3-4(6(10)11)1-2-5(7)9/h1-3,5,9,12H,(H,10,11)/p-1/t5-,7+/m0/s1 SMILES O=C([O-])C1=C[C@](O)(Cl)[C@@H](O)C=C1 MNX internals InChI (mnx) InChI=1/C7H7ClO4/c8-7(12)3-4(6(10)11)1-2-5(7)9/h1-3,5,9,12H,(H,10,11)/t5-,7+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C@H:5]([OH:9])[C@:7]([Cl:8])([OH:12])[CH:3]=[C:4]1[C:6](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0