hexanoic acid; hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxidanyl(oxidanylidene)titanium; prop-1-ene; dihydrate

Systemtic Name: hexanoic acid; hydrogen peroxide; 2-methanidyl-2-methyl-propane; oxidanyl(oxidanylidene)titanium; prop-1-ene; dihydrate Openeye Name: hexanoic acid; hydrogen peroxide; hydroxy(oxo)titanium; 2-methanidyl-2-methyl-propane; prop-1-ene; dihydrate CAS Name: hexanoic acid; hydrogen peroxide; hydroxy(oxo)titanium; 2-methanidyl-2-methylpropane; 1-propene; dihydrate IUPAC Name: hexanoic acid; hydrogen peroxide; hydroxy(oxo)titanium; 2-methanidyl-2-methylpropane; prop-1-ene; dihydrate Traditional Name: hexanoic acid; hydrogen peroxide; hydroxy(keto)titanium; 2-methanidyl-2-methyl-propane; prop-1-ene; dihydrate Formula: C17H40O8Ti-3 MolecularWeight: 420.3617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O2.C5H11.2C3H5.H2O2.3H2O.O.Ti/c1-2-3-4-5-6(7)8;1-5(2,3)4;2*1-3-2;1-2;;;;;/h2-5H2,1H3,(H,7,8);1H2,2-4H3;2*3H,1-2H2;1-2H;3*1H2;;/q;3*-1;;;;;;+1/p-1