2-(dioxidanyl)propane; 16-methylheptadecan-1-one; oxidanyl(oxidanylidene)titanium

Systemtic Name: 2-(dioxidanyl)propane; 16-methylheptadecan-1-one; oxidanyl(oxidanylidene)titanium Openeye Name: 2-hydroperoxypropane; hydroxy(oxo)titanium; 16-methylheptadecan-1-one CAS Name: 2-hydroperoxypropane; hydroxy(oxo)titanium; 16-methyl-1-heptadecanone IUPAC Name: 2-hydroperoxypropane; hydroxy(oxo)titanium; 16-methylheptadecan-1-one Traditional Name: 2-hydroperoxypropane; hydroxy(keto)titanium; 16-methylheptadecan-1-one Formula: C57H114O7Ti-3 MolecularWeight: 959.37786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H35O.C3H8O2.H2O.O.Ti/c3*1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;1-3(2)5-4;;;/h3*18H,3-16H2,1-2H3;3-4H,1-2H3;1H2;;/q3*-1;;;;+1/p-1