PDB CCD ID: | H3P |
Number of entries in BioLiP: | 8 |
Chemical formula: | C13 H6 Cl6 O2 |
InChI: | InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2 |
InChIKey: | ACGUYXCXAPNIKK-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | Oc1c(Cl)cc(Cl)c(Cl)c1Cc2c(O)c(Cl)cc(Cl)c2Cl | OpenEye OEToolkits 1.5.0 | c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl | ACDLabs 10.04 | Clc1c(c(O)c(Cl)cc1Cl)Cc2c(O)c(Cl)cc(Cl)c2Cl |
|
Name: | 2,2'-methanediylbis(3,4,6-trichlorophenol) |
ChEMBL: | CHEMBL496 |
DrugBank: | DB00756 |
ZINC: | ZINC000001530968 |