| 2D Structure | |
| CID | 17161 |
| Target | CYP1A2 , CYP2C19 , CYP2C9 , GLI3 , NR1I2 , NR1I3 , Rorc , TSHR |
| IUPAC Name | 2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione |
| InChI | InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3 |
| InChI Key | ZZYASVWWDLJXIM-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C |
| Isomeric SMILES | CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C |
| Molecular Formula | C14H20O2 |
| Molecular Weight | 220.31 |
| synonyms | ['2460-77-7', '2,5-Di-tert-butyl-1,4-benzoquinone', '2,5-di-tert-butylcyclohexa-2,5-diene-1,4-dione', '2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-', '2,5-Di-tert-butyl-p-benzoquinone', '2,5-Di-tert-butylquinone', '2,5-Di-tert-butylsemiquinone', 'NSC 7489', 'NSC 43579', 'p-Benzoquinone, 2,5-di-tert-butyl-', '2,5-DI-T-BUTYL-P-BENZOQUINONE', 'HSDB 3931', 'EINECS 219-552-0', 'BRN 2047945', 'G893OSV02D', 'DTXSID3044889', 'AI3-16635', 'NSC-7489', 'NSC-43579', '2,5-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione', 'DTXCID1024889', '2,5-Cyclohexadien-1,4-dione, 2,5-bis(1,1-dimethylethyl)-', '2,5Ditertbutylquinone', '2,5Ditertbutylsemiquinone', '2,5Ditertbutylbenzoquinone', 'pBenzoquinone, 2,5ditertbutyl', '2,5Ditertbutyl1,4benzoquinone', 'p-Benzoquinone, 2,5-di-tert-butyl-(8CI)', '2,5Bis(1,1dimethylethyl)2,5cyclohexadiene1,4dione', '2,5Cyclohexadiene1,4dione, 2,5bis(1,1dimethylethyl)', '219-552-0', '2,5-Di-tert-butylbenzoquinone', '2,5-di-tert-Butyl-p-quinone', '2,5-ditert-butylcyclohexa-2,5-diene-1,4-dione', 'MFCD00019442', 'p-Benzoquinone,5-di-tert-butyl-', '2,4-dione, 2,5-bis(1,1-dimethylethyl)-', 'UNII-G893OSV02D', 'Maybridge4_002986', 'SCHEMBL49783', 'CHEMBL3560130', 'ZZYASVWWDLJXIM-UHFFFAOYSA-', 'NSC7489', 'CHEBI:183272', '2,5-di-tert-butyl-1,4-quinone', 'HMS1529H16', '2,5-di-t-butyl-1,4-benzoquinone', 'CCG-1811', 'NSC43579', 'Tox21_303738', '2,5-Ditert-butylbenzo-1,4-quinone', '2,5-ditert-butyl-[1,4]benzoquinone', 'AKOS015837828', 'CS-W023258', 'NCGC00176338-01', 'NCGC00176338-02', 'NCGC00357046-01', 'AS-15434', 'SY049950', 'CAS-2460-77-7', '2,5-Di-tert-butyl-1,4-benzoquinone, 99%', 'D0178', 'NS00019886', '2,5-DI-TERT-BUTYL-1,4 BENZOQUINONE', 'D71098', 'Q27278928', 'InChI=1/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8H,1-6H3'] |
From Pubchem