compound 0056033

Properties Image MNX_ID MNXM1188962 reference envipathM:...022ea848db66 formula C10H18O3Ti global charge 0 mol weight 234.118 InChIKey HMCHYAQQMZYYNS-UHFFFAOYSA-K InChI InChI=1S/C10H15.3H2O.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H2;/q;;;;+3/p-3 SMILES CC1=C(C)C(C)([Ti](O)(O)O)C(C)=C1C MNX internals InChI (mnx) InChI=1/C10H15.3H2O.Ti/c1-6-7(2)9(4)10(5)8(6)3;;;;/h1-5H3;3*1H2;/q;;;;+3 SMILES (mnx) [CH3:1][C:6]1=[C:7]([CH3:2])[C:9]([CH3:4])[C:10]([CH3:5])=[C:8]1[CH3:3].[OH2:11].[OH2:12].[OH2:13].[Ti+3:14]

Parent-child relations graph

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