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SMILES: c1cc(ccc1/C/1=c/2\cc/c(=C(/c3ccc([nH]3)/C(=C\3/C=CC(=N3)/C(=C\3/C=CC1=N3)/c1ccc(cc1)S(=O)(=O)O)/c1ccc(cc1)S(=O)(=O)O)\c1ccc(cc1)S(=O)(=O)O)/[nH]2)S(=O)(=O)O Canonical SMILES: OS(=O)(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/c3[nH]c(/C(=C/4\N=C1C=C4)/c1ccc(cc1)S(=O)(=O)O)cc3)\c1ccc(cc1)S(=O)(=O)O)/[nH]2)/c1ccc(cc1)S(=O)(=O)O InChI: InChI=1S/C44H30N4O12S4/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57/h1-24,45-46H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- InChIKey: YAVMDSYMZGJNES-LWQDQPMZSA-N
CBID:130463 http://www.chembase.cn/molecule-130463.html