2-[[3,5-DICHLORO-4-[[14-(2-PYRIDINYLDITHIO)-3,6,9,12-TETRAOXATETRADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID

CAS号
851962-14-6
CCD编号
CCD03289007
分子式
C28 H32 Cl2 N2 O7 S2
分子量
643.606

基本信息

产品名称: 2-[[3,5-DICHLORO-4-[[14-(2-PYRIDINYLDITHIO)-3,6,9,12-TETRAOXATETRADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID
CAS: 851962-14-6
英文同义词: BENZOIC ACID, 2-[[3,5-DICHLORO-4-[[14-(2-PYRIDINYLDITHIO)-3,6,9,12-TETRAOXATETRADEC-1-YL]OXY]PHENYL]AMINO]- ; 2-[[3,5-DICHLORO-4-[[14-(2-PYRIDINYLDITHIO)-3,6,9,12-TETRAOXATETRADEC-1-YL]OXY]PHENYL]AMINO]-BENZOIC ACID
MDL号: MFCD17017961
氢键受体数量: 9
氢键供体数量: 2
Smile: c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OCCOCCOCCOCCOCCSSc3ccccn3)Cl
InChi: InChI=1S/C28H32Cl2N2O7S2/c29-23-19-21(32-25-6-2-1-5-22(25)28(33)34)20-24(30)27(23)39-16-15-37-12-11-35-9-10-36-13-14-38-17-18-40-41-26-7-3-4-8-31-26/h1-8,19-20,32H,9-18H2,(H,33,34)
InChiKey: InChIKey=WXLRDSFRMDFPGQ-UHFFFAOYSA-N

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