7,7-dimethyloctan-1-one; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene; hydrate

Systemtic Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; oxidanylidenetitanium; prop-1-ene; hydrate Openeye Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; oxotitanium; prop-1-ene; hydrate CAS Name: 7,7-dimethyl-1-octanone; hydrogen peroxide; oxotitanium; 1-propene; hydrate IUPAC Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; oxotitanium; prop-1-ene; hydrate Traditional Name: 7,7-dimethyloctan-1-one; hydrogen peroxide; ketotitanium; prop-1-ene; hydrate Formula: C36H71O7Ti-5 MolecularWeight: 663.81174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.[CH2-]C=C.[CH2-]C=C.O.OO.O=[Ti]

Isomeric SMILES

CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.CC(C)(C)CCCCC[C-]=O.[CH2-]C=C.[CH2-]C=C.O.OO.O=[Ti]

InChI

InChI=1S/3C10H19O.2C3H5.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,1-2H2;1-2H;1H2;;/q5*-1;;;;