U0W
概要
表記: | 5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid |
別名: | 5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid 5-(indan-5-yloxymethyl)furan-2-carboxylic acid; 5-(Indan-5-yloxymethyl)-furan-2-carboxylic acid; 5-[(2,3-dihydro-1H-inden-5-yloxy)methyl]furan-2-carboxylic acid |
組成式: | C15 H14 O4 |
電荷: | 0 |
化学式量: | 258.269 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
OpenEye OEToolkits | 2.0.7 | 5-(2,3-dihydro-1~{H}-inden-5-yloxymethyl)furan-2-carboxylic acid |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C15H14O4/c16-15(17)14-7-6-13(19-14)9-18-12-5-4-10-2-1-3-11(10)8-12/h4-8H,1-3,9H2,(H,16,17) |
InChIKey | InChI | 1.03 | BQKLXOGKDTYPRT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1oc(COc2ccc3CCCc3c2)cc1 |
SMILES | CACTVS | 3.385 | OC(=O)c1oc(COc2ccc3CCCc3c2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1OCc3ccc(o3)C(=O)O)CCC2 |