dioctyl hydrogen phosphate; 2-methanidyl-2-methyl-propane; oxidanyl(oxidanylidene)titanium; prop-1-ene; dihydrate

Systemtic Name: dioctyl hydrogen phosphate; 2-methanidyl-2-methyl-propane; oxidanyl(oxidanylidene)titanium; prop-1-ene; dihydrate Openeye Name: dioctyl hydrogen phosphate; hydroxy(oxo)titanium; 2-methanidyl-2-methyl-propane; prop-1-ene; dihydrate CAS Name: dioctyl hydrogen phosphate; hydroxy(oxo)titanium; 2-methanidyl-2-methylpropane; 1-propene; dihydrate IUPAC Name: dioctyl hydrogen phosphate; hydroxy(oxo)titanium; 2-methanidyl-2-methylpropane; prop-1-ene; dihydrate Traditional Name: dioctyl hydrogen phosphate; hydroxy(keto)titanium; 2-methanidyl-2-methyl-propane; prop-1-ene; dihydrate Formula: C59H131O16P3Ti-3 MolecularWeight: 1237.450123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CC(C)(C)[CH2-].[CH2-]C=C.[CH2-]C=C.O.O.O[Ti]=O

Isomeric SMILES

CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CC(C)(C)[CH2-].[CH2-]C=C.[CH2-]C=C.O.O.O[Ti]=O

InChI

InChI=1S/3C16H35O4P.C5H11.2C3H5.3H2O.O.Ti/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;1-5(2,3)4;2*1-3-2;;;;;/h3*3-16H2,1-2H3,(H,17,18);1H2,2-4H3;2*3H,1-2H2;3*1H2;;/q;;;3*-1;;;;;+1/p-1