提示: 按住Ctrl键可以同时选择多个官能团
SMILES: c1ccc(cc1)/C/1=C\2/N=C(/C(=c/3\[n-]/c(=C(\C4=N/C(=C(\c5[n-]c1cc5)/c1ccccc1)/C=C4)/c1ccccc1)/cc3)/c1ccccc1)C=C2.c1ccc(cc1)/C/1=C\2/N=C(/C(=c/3\[n-]/c(=C(\C4=N/C(=C(\c5[n-]c1cc5)/c1ccccc1)/C=C4)/c1ccccc1)/cc3)/c1ccccc1)C=C2.[O-2].[Fe+3].[Fe+3] Canonical SMILES: c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[n-]c1cc4)/c1ccccc1)/C=C3)\c1ccccc1)/[n-]2)/c1ccccc1.c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[n-]c1cc4)/c1ccccc1)/C=C3)\c1ccccc1)/[n-]2)/c1ccccc1.[O-2].[Fe+3].[Fe+3] InChI: InChI=1S/2C44H28N4.2Fe.O/c2*1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;;/h2*1-28H;;;/q2*-2;2*+3;-2/b2*41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;; InChIKey: WCKRZSMOZMPKRU-QJIBVACRSA-N
CBID:303175 http://www.chembase.cn/molecule-303175.html