基本信息 |
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产品名称: | BENZENECARBOTHIOIC ACID, S-(1,2,3,4,5,6-HEXAHYDRO-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-8-YL) ESTER, (2-ALPHA,6-ALPHA,11R*)-, (+-)-, (E)-2-BUTENEDIOATE (1:1), HYDRATE |
CAS: | 71780-68-2 |
英文同义词: | BENZENECARBOTHIOIC ACID, S-(1,2,3,4,5,6-HEXAHYDRO-3,6,11-TRIMETHYL-2,6-METHANO-3-BENZAZOCIN-8-YL) ESTER, (2-ALPHA,6-ALPHA,11R*)-, (+-)-, (E)-2-BUTENEDIOATE (1:1), HYDRATE |
MDL号: | MFCD01656854 |
氢键受体数量: | 2 |
氢键供体数量: | 0 |
Smile: | C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(CCN2C)C)SC(=O)c4ccccc4.C(=C/C(=O)O)\C(=O)O.O |
InChi: | InChI=1S/C22H25NOS.C4H4O4.H2O/c1-15-20-13-17-9-10-18(25-21(24)16-7-5-4-6-8-16)14-19(17)22(15,2)11-12-23(20)3;5-3(6)1-2-4(7)8;/h4-10,14-15,20H,11-13H2,1-3H3;1-2H,(H,5,6)(H,7,8);1H2/b;2-1+;/t15-,20+,22+;;/m0../s1 |
InChiKey: | InChIKey=BRXNFPHFMSHODE-QHUFCHSDSA-N |
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