Egregiachloride C

Properties Image MNX_ID MNXM104801 reference chebi:187008 formula C20H29ClO3 global charge 0 mol weight 352.902 InChIKey ZPCHFWGBCMRNFG-LUZGOERCSA-N InChI InChI=1S/C20H29ClO3/c1-2-17(21)16-14-18-20(24-18)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)23/h4-7,10,12,15-18,20H,2-3,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-/t15-,16+,17-,18-,20+/m0/s1 SMILES CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1/C=C\C/C=C\C/C=C\CCCC(=O)O MNX internals InChI (mnx) InChI=1/C20H29ClO3/c1-2-17(21)16-14-18-20(24-18)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)23/h4-7,10,12,15-18,20H,2-3,8-9,11,13-14H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-/t15-,16+,17-,18-,20+/m0/s1 SMILES (mnx) [CH3:1][CH2:2][C@@H:17]([C@@H:16]1[CH2:14][C@H:18]2[C@@H:20]([C@H:15]1/[CH:12]=[CH:10]\[CH2:8]/[CH:6]=[CH:4]\[CH2:3]/[CH:5]=[CH:7]\[CH2:9][CH2:11][CH2:13][C:19](=[O:22])[OH:23])[O:24]2)[Cl:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0