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SMILES: c1cccc(c1)CCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)oc(cc2=O)c1[nH]nnn1.c1cccc(c1)CCCCOc1ccc(cc1)C(=O)Nc1ccc2c(c1)oc(cc2=O)c1[nH]nnn1.O Canonical SMILES: O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1ccc2c(c1)oc(cc2=O)c1nnn[nH]1.O=C(c1ccc(cc1)OCCCCc1ccccc1)Nc1ccc2c(c1)oc(cc2=O)c1nnn[nH]1.O InChI: InChI=1S/2C27H23N5O4.H2O/c2*33-23-17-25(26-29-31-32-30-26)36-24-16-20(11-14-22(23)24)28-27(34)19-9-12-21(13-10-19)35-15-5-4-8-18-6-2-1-3-7-18;/h2*1-3,6-7,9-14,16-17H,4-5,8,15H2,(H,28,34)(H,29,30,31,32);1H2 InChIKey: RMLBRQOAEVVSDF-UHFFFAOYSA-N
CBID:44464 http://www.chembase.cn/molecule-44464.html