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SMILES: C1(=O)Nc2c(C31CCCCC3)cc(cc2)Br Canonical SMILES: O=C1Nc2c(C31CCCCC3)cc(cc2)Br InChI: InChI=1S/C13H14BrNO/c14-9-4-5-11-10(8-9)13(12(16)15-11)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16) InChIKey: MOCOBMQLHAVEMT-UHFFFAOYSA-N
CBID:50699 http://www.chembase.cn/molecule-50699.html