能提供下苯磺顺阿曲库胺的SMILES文件吗?
【已解决】苯磺顺阿曲库胺的SMILES文件提供下,谢谢!!!
最佳答案
回答者:网友
S(C1C([H])=C([H])C([H])=C([H])C=1[H])(=O)(=O)[O-].S(C1C([H])=C([H])C([H])=C([H])C=1[H])(=O)(=O)[O-].O(C([H])([H])[H])C1=C(C([H])=C2C([H])([H])C([H])([H])[N@@+](C([H])([H])[H])(C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])OC(C([H])([H])C([H])([H])[N@@+]3(C([H])([H])[H])C([H])([H])C([H])([H])C4=C([H])C(=C(C([H])=C4[C@@]3([H])C([H])([H])C3C([H])=C([H])C(=C(C=3[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])OC([H])([H])[H])=O)[C@@]([H])(C([H])([H])C3C([H])=C([H])C(=C(C=3[H])OC([H])([H])[H])OC([H])([H])[H])C2=C1[H])OC([H])([H])[H]