2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID

CAS号
851962-15-7
CCD编号
CCD03289008
分子式
C30 H36 Cl2 N2 O8 S2
分子量
687.658

基本信息

产品名称: 2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID
CAS: 851962-15-7
英文同义词: BENZOIC ACID, 2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]- ; 2-[[3,5-DICHLORO-4-[[17-(2-PYRIDINYLDITHIO)-3,6,9,12,15-PENTAOXAHEPTADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID
MDL号: MFCD17017962
氢键受体数量: 10
氢键供体数量: 2
Smile: c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCOCCOCCOCCOCCOCCSSc3ccccn3)Cl
InChi: InChI=1S/C30H36Cl2N2O8S2/c31-25-21-23(34-27-6-2-1-5-24(27)30(35)36)22-26(32)29(25)42-18-17-40-14-13-38-10-9-37-11-12-39-15-16-41-19-20-43-44-28-7-3-4-8-33-28/h1-8,21-22,34H,9-20H2,(H,35,36)
InChiKey: InChIKey=HUPIPQAHQXAMLE-UHFFFAOYSA-N

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