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SMILES: C12=C(C[C@@H]3[C@@H]([C@H]1CCC3)NC=O)CCCC2.O Canonical SMILES: O=CN[C@H]1[C@@H]2CCC[C@H]1C1=C(C2)CCCC1.O InChI: InChI=1S/C14H21NO.H2O/c16-9-15-14-11-5-3-7-13(14)12-6-2-1-4-10(12)8-11;/h9,11,13-14H,1-8H2,(H,15,16);1H2/t11-,13+,14+;/m1./s1 InChIKey: DSQYJTFJUYWXSE-OQNHHKPVSA-N
CBID:185241 http://www.chembase.cn/molecule-185241.html