| 2D Structure | |
| CID | 7829 |
| Target | CYP1A2 |
| IUPAC Name | dimethyl decanedioate |
| InChI | InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3 |
| InChI Key | ALOUNLDAKADEEB-UHFFFAOYSA-N |
| Canonical SMILES | COC(=O)CCCCCCCCC(=O)OC |
| Isomeric SMILES | COC(=O)CCCCCCCCC(=O)OC |
| Molecular Formula | C12H22O4 |
| Molecular Weight | 230.30 |
| synonyms | ['DIMETHYL SEBACATE', 'Dimethyl decanedioate', 'Sebacic acid dimethyl ester', 'Decanedioic acid, dimethyl ester', 'Dimethyldecanedioate', 'dimethyl decane-1,10-dioate', 'Decanedioic acid, 1,10-dimethyl ester', 'NSC 9415', 'EINECS 203-431-4', 'DTXSID1026740', 'AI3-00662', 'UNII-G87745M355', 'NSC-9415', 'DTXCID206740', 'G87745M355', 'EC 203-431-4', '203-431-4', 'DIMETHYL sebacic acid', 'Dimethyl octane1,8dicarboxylate', '1,10-Dimethyl decanedioic acid', 'Decanedioic acid, 1,10dimethyl ester', 'alounldakadeeb-uhfffaoysa-n', '106-79-6', 'Methyl sebacate', 'Sebacic acid, dimethyl ester', 'Dimethyl octane-1,8-dicarboxylate', 'Decanedioic Acid Dimethyl Ester', 'MFCD00008472', 'dimethylsebacate', 'Dimethyl sebacate, 99%', '1,8-Octanedicarboxylic acid, bis-methyl ester', 'Dimethyl sebacate, >=95%', 'SCHEMBL35275', 'CHEMBL3186083', 'NSC9415', 'CHEBI:194205', 'Tox21_200178', 'BBL009825', 'STK018255', '1,10-decanedioic acid dimethyl ester', 'decanedioic acid 1,10-dimethyl ester', 'Dimethyl sebacate, analytical standard', 'AKOS005378294', 'CS-W014182', 'HY-W013466', 'NCGC00248552-01', 'NCGC00257732-01', 'CAS-106-79-6', 'NS00011508', 'S0027', 'E75805', 'Q27278920'] |
From Pubchem