PDB CCD ID: | S2L |
Number of entries in BioLiP: | 0 |
Chemical formula: | C14 H11 Cl O3 |
InChI: | InChI=1S/C14H11ClO3/c15-14-8-11(16)4-3-10(14)2-1-9-5-12(17)7-13(18)6-9/h1-8,16-18H/b2-1+ |
InChIKey: | YSKUNWVWMAIANA-OWOJBTEDSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(Cl)c1 | CACTVS 3.385 | Oc1ccc(C=Cc2cc(O)cc(O)c2)c(Cl)c1 | OpenEye OEToolkits 2.0.6 | c1cc(c(cc1O)Cl)C=Cc2cc(cc(c2)O)O | OpenEye OEToolkits 2.0.6 | c1cc(c(cc1O)Cl)/C=C/c2cc(cc(c2)O)O | ACDLabs 12.01 | c1c(cc(cc1O)[C@H]=Cc2c(cc(cc2)O)Cl)O |
|
Name: | 5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
ChEMBL: | CHEMBL4099088 |