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SMILES: Cc1ccsc1/C=C/C1=NCCCN1C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O Canonical SMILES: CN1CCCN=C1/C=C/c1sccc1C.OC(=O)CC(C(=O)O)(CC(=O)O)O InChI: InChI=1S/C12H16N2S.C6H8O7/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,9H,3,7-8H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b5-4+; InChIKey: OLOCXIJVDIVAHH-FXRZFVDSSA-N
CBID:132868 http://www.chembase.cn/molecule-132868.html