ethanol; 16-methylheptadecan-1-one; oxidanyl(oxidanylidene)titanium

Systemtic Name: ethanol; 16-methylheptadecan-1-one; oxidanyl(oxidanylidene)titanium Openeye Name: ethanol; hydroxy(oxo)titanium; 16-methylheptadecan-1-one CAS Name: ethanol; hydroxy(oxo)titanium; 16-methyl-1-heptadecanone IUPAC Name: ethanol; hydroxy(oxo)titanium; 16-methylheptadecan-1-one Traditional Name: ethanol; hydroxy(keto)titanium; 16-methylheptadecan-1-one Formula: C56H112O6Ti-3 MolecularWeight: 929.35188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCO.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.O[Ti]=O

Isomeric SMILES

CCO.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.CC(C)CCCCCCCCCCCCCC[C-]=O.O[Ti]=O

InChI

InChI=1S/3C18H35O.C2H6O.H2O.O.Ti/c3*1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;1-2-3;;;/h3*18H,3-16H2,1-2H3;3H,2H2,1H3;1H2;;/q3*-1;;;;+1/p-1