DCQ
概要
表記: | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione |
別名: | decylubiquinone |
組成式: | C19 H30 O4 |
電荷: | 0 |
化学式量: | 322.439 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione |
OpenEye OEToolkits | 1.5.0 | 2-decyl-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=C1C(=C(C(=O)C(OC)=C1OC)C)CCCCCCCCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCC1=C(C)C(=O)C(=C(OC)C1=O)OC |
SMILES | CACTVS | 3.341 | CCCCCCCCCCC1=C(C)C(=O)C(=C(OC)C1=O)OC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C |
InChI | InChI | 1.03 | InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3 |
InChIKey | InChI | 1.03 | VMEGFMNVSYVVOM-UHFFFAOYSA-N |