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SMILES: COC(=O)CCc1/c/2=C/c3c(c(c([nH]3)/C=C/3\N=C(/C=C/4\N=C(/C=c(/c1CC(=O)OC)\[nH]2)C(=C4CC(=O)OC)CCC(=O)OC)C(=C3CCC(=O)OC)CC(=O)OC)CCC(=O)OC)CC(=O)OC Canonical SMILES: COC(=O)CCC1=C(CC(=O)OC)C2=N/C/1=C\c1[nH]c(c(c1CCC(=O)OC)CC(=O)OC)/C=c/1\[nH]/c(=C\C3=N/C(=C\2)/C(=C3CCC(=O)OC)CC(=O)OC)/c(c1CCC(=O)OC)CC(=O)OC InChI: InChI=1S/C48H54N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-35-27(11-15-43(55)63-3)30(18-46(58)66-6)38(51-35)23-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)24-39-31(19-47(59)67-7)26(10-14-42(54)62-2)34(50-39)21-33(25)49-37/h21-24,49,51H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-23-,37-22-,38-23-,39-24-,40-24- InChIKey: UPRSDHFCTQLTGV-OJKAWOKHSA-N
CBID:130627 http://www.chembase.cn/molecule-130627.html