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SMILES: [n+]1(c(n(c2c1cc(C(=O)OCC)cc2)CC)C)CCCS(=O)(=O)[O-] Canonical SMILES: CCOC(=O)c1ccc2c(c1)[n+](CCCS(=O)(=O)[O-])c(n2CC)C InChI: InChI=1S/C16H22N2O5S/c1-4-17-12(3)18(9-6-10-24(20,21)22)15-11-13(7-8-14(15)17)16(19)23-5-2/h7-8,11H,4-6,9-10H2,1-3H3 InChIKey: JCCIQGDNNSRLTI-UHFFFAOYSA-N
CBID:229101 http://www.chembase.cn/molecule-229101.html