dioctyl hydrogen phosphate; oxidanyl(oxidanylidene)titanium; propane; hydrate

Systemtic Name: dioctyl hydrogen phosphate; oxidanyl(oxidanylidene)titanium; propane; hydrate Openeye Name: dioctyl hydrogen phosphate; hydroxy(oxo)titanium; propane; hydrate CAS Name: dioctyl hydrogen phosphate; hydroxy(oxo)titanium; propane; hydrate IUPAC Name: dioctyl hydrogen phosphate; hydroxy(oxo)titanium; propane; hydrate Traditional Name: dioctyl hydrogen phosphate; hydroxy(keto)titanium; propane; hydrate Formula: C57H129O15P3Ti-3 MolecularWeight: 1195.413443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C16H35O4P.3C3H7.2H2O.O.Ti/c3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;3*1-3-2;;;;/h3*3-16H2,1-2H3,(H,17,18);3*3H,1-2H3;2*1H2;;/q;;;3*-1;;;;+1/p-1