7,7-dimethyloctan-1-one; hydrogen peroxide; oxidanyl(oxidanylidene)titanium; prop-1-ene

Systemtic Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; oxidanyl(oxidanylidene)titanium; prop-1-ene Openeye Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; hydroxy(oxo)titanium; prop-1-ene CAS Name: 7,7-dimethyl-1-octanone; hydrogen peroxide; hydroxy(oxo)titanium; 1-propene IUPAC Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; hydroxy(oxo)titanium; prop-1-ene Traditional Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; hydroxy(keto)titanium; prop-1-ene Formula: C36H72O7Ti-3 MolecularWeight: 664.81968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H19O.2C3H6.H2O2.H2O.O.Ti/c3*1-10(2,3)8-6-4-5-7-9-11;2*1-3-2;1-2;;;/h3*4-8H2,1-3H3;2*3H,1H2,2H3;1-2H;1H2;;/q3*-1;;;;;;+1/p-1