5-HEPTENOIC ACID, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-DIFLUORO-4-PHENOXY-1-BUTEN-1-YL]-3,5-DIHYDROXYCYCLOPENTYL]-, ION(1-), (5Z)-

CAS号
959851-12-8
CCD编号
CCD03290360
分子式
C22H27F2O5
分子量
409.446

基本信息

产品名称: 5-HEPTENOIC ACID, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-DIFLUORO-4-PHENOXY-1-BUTEN-1-YL]-3,5-DIHYDROXYCYCLOPENTYL]-, ION(1-), (5Z)-
CAS: 959851-12-8
英文同义词: 5-HEPTENOIC ACID, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-DIFLUORO-4-PHENOXY-1-BUTEN-1-YL]-3,5-DIHYDROXYCYCLOPENTYL]-, ION(1-), (5Z)-
MDL号: MFCD17019356
氢键受体数量: 5
氢键供体数量: 2
Smile: O[C@H]1C[C@@H](O)[C@H](\C=C\C(F)(F)COC2=CC=CC=C2)[C@H]1C\C=C/CCCC([O-])=O
InChi: InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/p-1/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1
InChiKey: InChIKey=KIQXRQVVYTYYAZ-VKVYFNERSA-M

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