能提供下3 -乙酰基-β-乳香酸的SMILES文件吗?
【已解决】3 -乙酰基-β-乳香酸的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
O(C(C([H])([H])[H])=O)[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])([C@]1(C(=O)O[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]4([H])C3=C([H])C([H])([H])[C@@]12[H]