Q27216073

Summary

Q27216073 is a group of stereoisomers^[1].

Key Facts

• Q27216073's instance of is recorded as group of stereoisomers^[2].
• Q27216073's CAS Registry Number is recorded as 128-10-9^[3].
• Q27216073's canonical SMILES is recorded as C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl^[4].
• Q27216073's InChI is recorded as InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2^[5].
• Q27216073's InChIKey is recorded as DFBKLUNHFCTMDC-UHFFFAOYSA-N^[6].
• Q27216073's chemical formula is recorded as C₁₂H₈Cl₆O^[7].
• Q27216073's subclass of is recorded as organochlorine compound^[8].
• Q27216073's ChEMBL ID is recorded as CHEMBL44072^[9].
• Q27216073's ChemSpider ID is recorded as 2940^[10].
• Q27216073's PubChem CID is recorded as 3048^[11].
• Q27216073's ChEBI ID is recorded as 125455^[12].
• Q27216073's Human Metabolome Database ID is recorded as HMDB0031211^[13].
• Q27216073's KNApSAcK ID is recorded as C00062382^[14].
• Q27216073's KNApSAcK ID is recorded as C00062785^[15].
• Q27216073's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+377.87063095599996'}^[16].
• Q27216073's NSC number is recorded as 231371^[17].
• Q27216073's SureChEMBL ID is recorded as 72828^[18].
• Q27216073's DSSTox substance ID is recorded as DTXSID3048150^[19].
• Q27216073's SPLASH is recorded as splash10-004i-9350000000-1c4e09990ac9de8ef901^[20].
• Q27216073's DSSTOX compound identifier is recorded as DTXCID9028124^[21].
• Q27216073's UniChem compound ID is recorded as 847263^[22].
• Q27216073's Probes And Drugs ID is recorded as PD013719^[23].