propan-2-ol; propan-2-yloxymethanediol; titanium; dihydrate

Systemtic Name: propan-2-ol; propan-2-yloxymethanediol; titanium; dihydrate Openeye Name: isopropoxymethanediol; propan-2-ol; titanium; dihydrate CAS Name: 2-propanol; propan-2-yloxymethanediol; titanium; dihydrate IUPAC Name: propan-2-ol; propan-2-yloxymethanediol; titanium; dihydrate Traditional Name: isopropoxymethanediol; propan-2-ol; titanium; dihydrate Formula: C38H104O18Ti4 MolecularWeight: 1040.68956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)OC(O)O.CC(C)OC(O)O.O.O.[Ti].[Ti].[Ti].[Ti]

Isomeric SMILES

CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)OC(O)O.CC(C)OC(O)O.O.O.[Ti].[Ti].[Ti].[Ti]

InChI

InChI=1S/2C4H10O3.10C3H8O.2H2O.4Ti/c2*1-3(2)7-4(5)6;10*1-3(2)4;;;;;;/h2*3-6H,1-2H3;10*3-4H,1-2H3;2*1H2;;;;