PDB CCD ID: | 5ET |
Number of entries in BioLiP: | 2 |
Chemical formula: | C16 H10 Cl2 O2 S |
InChI: | InChI=1S/C16H10Cl2O2S/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H |
InChIKey: | VTUSJVDCYSEYNA-UHFFFAOYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 12.01 | c1(cc(c(cc1)c3sc(c2c(cc(cc2)O)Cl)cc3)Cl)O | OpenEye OEToolkits 1.9.2 | c1cc(c(cc1O)Cl)c2ccc(s2)c3ccc(cc3Cl)O | CACTVS 3.385 | Oc1ccc(c(Cl)c1)c2sc(cc2)c3ccc(O)cc3Cl |
|
Name: | 4,4'-thiene-2,5-diylbis(3-chlorophenol) |
ChEMBL: | CHEMBL2332594 |
ZINC: | ZINC000095592190 |