bis(oxidanyl)-oxidanylidene-titanium; dioctyl hydrogen phosphate; propane

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; dioctyl hydrogen phosphate; propane Openeye Name: dihydroxy(oxo)titanium; dioctyl hydrogen phosphate; propane CAS Name: dihydroxy(oxo)titanium; dioctyl hydrogen phosphate; propane IUPAC Name: dihydroxy(oxo)titanium; dioctyl hydrogen phosphate; propane Traditional Name: dihydroxy(keto)titanium; dioctyl hydrogen phosphate; n-propane Formula: C57H131O15P3Ti MolecularWeight: 1197.429323

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CCC.CCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.O[Ti](=O)O

Isomeric SMILES

CCC.CCC.CCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.CCCCCCCCOP(=O)(O)OCCCCCCCC.O[Ti](=O)O

InChI

InChI=1S/3C16H35O4P.3C3H8.2H2O.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*3H2,1-2H3;2*1H2;;/q;;;;;;;;;+2/p-2