{"version":"1.0","blog_title":"\u3051\u307f\u3052\u306e","image_url":null,"title":"Canonical SMILES","provider_url":"https://hatena.blog","author_name":"yaboojp","blog_url":"https://yaboojp.hatenadiary.org/","provider_name":"Hatena Blog","url":"https://yaboojp.hatenadiary.org/entry/20110827/1314403506","published":"2011-08-27 09:05:06","html":"<iframe src=\"https://hatenablog-parts.com/embed?url=https%3A%2F%2Fyaboojp.hatenadiary.org%2Fentry%2F20110827%2F1314403506\" title=\"Canonical SMILES - \u3051\u307f\u3052\u306e\" class=\"embed-card embed-blogcard\" scrolling=\"no\" frameborder=\"0\" style=\"display: block; width: 100%; height: 190px; max-width: 500px; margin: 10px 0px;\"></iframe>","height":"190","type":"rich","width":"100%","author_url":"https://blog.hatena.ne.jp/yaboojp/","description":"\u3075\u305f\u3064\u306e\u5316\u5b66\u69cb\u9020\u304c\u540c\u4e00\u69cb\u9020\u306a\u306e\u304b\u3001\u624b\u3063\u53d6\u308a\u65e9\u304f\u77e5\u308a\u305f\u3044\u3068\u304d\u3001 \"Canonical (\u6b63\u6e96\u5316\u3055\u308c\u305f)\" SMILES\u5f62\u5f0f\u3092\u4f7f\u3046\u3068\u4fbf\u5229\u3067\u3059\u3002 \u5316\u5b66\u69cb\u9020\u3092\"\u901a\u5e38\u306e\"SMILES\u5f62\u5f0f\u3067\u8868\u73fe\u3057\u3088\u3046\u3068\u3059\u308b\u3068\u3001\u4e00\u610f\u306b\u5b9a\u307e\u3089\u306a\u3044\u3053\u3068\u304c\u3042\u308a\u307e\u3059\u3002 \u305f\u3068\u3048\u3070\u3001\u30a8\u30fc\u30c6\u30eb\uff08diethyl ether\uff09\u306e\u5834\u5408\u3001 CCOCC C(C)OCC C(OCC)C O(CC)CC \u306e\u3088\u3046\u306b\u3001\u8a18\u8ff0\u306e\u958b\u59cb\u70b9\u3068\u9806\u5e8f\u306b\u3088\u308a\u3001\uff14\u901a\u308a\u306e\u8868\u73fe\u304c\u53ef\u80fd\u3067\u3059\u3002 \u305d\u3053\u3067\u3001\u3053\u308c\u3089\u306e\u4e2d\u304b\u3089\u3072\u3068\u3064\u4ee3\u8868SMILES\u306b\u7d71\u4e00\u3057\u3088\u3046\u3001\u305d\u3046\u3059\u308c\u3070 \u6587\u5b57\u5217\u306e\u4e00\u81f4\u304c\u5316\u5b66\u69cb\u9020\u306e\u4e00\u81f4\u306b\u5bfe\u5fdc\u4ed8\u3051\u3089\u308c\u308b\u3001\u3068\u3044\u3046\u306e\u304c\"Canonical\"\u306e\u8003\u3048\u65b9\u3067\u3059\u3002 \u3055\u3066\u3001\u3053\u3053\u304b\u3089\u306f\u5b9f\u88c5\u306e\u8a71\u2026","categories":["CDK"]}