compound 0058912

Properties Image MNX_ID MNXM1193470 reference envipathM:...e8b9ae063508 formula C14H21Cl5O2 global charge 0 mol weight 398.585 InChIKey FRDWADOLCRIULN-UHFFFAOYSA-N InChI InChI=1S/C14H21Cl5O2/c15-8-3-1-7(2-4-8)13(14(17,18)19)9-5-12(21)10(16)6-11(9)20/h7-13,20-21H,1-6H2 SMILES OC1CC(C(C2CCC(Cl)CC2)C(Cl)(Cl)Cl)C(O)CC1Cl MNX internals InChI (mnx) InChI=1/C14H21Cl5O2/c15-8-3-1-7(2-4-8)13(14(17,18)19)9-5-12(21)10(16)6-11(9)20/h7-13,20-21H,1-6H2/t7?,8?,9?,10?,11?,12?,13? SMILES (mnx) [CH2:1]1[CH2:3][CH:8]([Cl:15])[CH2:4][CH2:2][CH:7]1[CH:13]([CH:9]1[CH2:5][CH:12]([OH:21])[CH:10]([Cl:16])[CH2:6][CH:11]1[OH:20])[C:14]([Cl:17])([Cl:18])[Cl:19]

Parent-child relations graph

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