HC8
概要
| 表記: | 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one |
| 組成式: | C16 H16 O5 |
| 電荷: | 0 |
| 化学式量: | 288.295 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 | 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one |
| OpenEye OEToolkits | 1.5.0 | 1-(3-ethanoyl-4,5-dihydroxy-7-methoxy-naphthalen-2-yl)propan-2-one |
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=C(C)Cc1cc2c(c(O)c1C(=O)C)c(O)cc(OC)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1 |
| SMILES | CACTVS | 3.341 | COc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC |
| InChI | InChI | 1.03 | InChI=1S/C16H16O5/c1-8(17)4-10-5-11-6-12(21-3)7-13(19)15(11)16(20)14(10)9(2)18/h5-7,19-20H,4H2,1-3H3 |
| InChIKey | InChI | 1.03 | BONGITCDOWZART-UHFFFAOYSA-N |
