bis(oxidanyl)-oxidanylidene-titanium; [octoxy(oxidanyl)phosphoryl] octyl propan-2-yl phosphate

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; [octoxy(oxidanyl)phosphoryl] octyl propan-2-yl phosphate Openeye Name: dihydroxy(oxo)titanium; [hydroxy(octoxy)phosphoryl] isopropyl octyl phosphate CAS Name: dihydroxy(oxo)titanium; phosphoric acid [hydroxy(octoxy)phosphoryl] octyl propan-2-yl ester IUPAC Name: dihydroxy(oxo)titanium; [hydroxy(octoxy)phosphoryl] octyl propan-2-yl phosphate Traditional Name: dihydroxy(keto)titanium; phosphoric acid [hydroxy(octoxy)phosphoryl] isopropyl octyl ester Formula: C38H86O17P4Ti MolecularWeight: 986.841284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOP(=O)(O)OP(=O)(OCCCCCCCC)OC(C)C.CCCCCCCCOP(=O)(O)OP(=O)(OCCCCCCCC)OC(C)C.O[Ti](=O)O

Isomeric SMILES

CCCCCCCCOP(=O)(O)OP(=O)(OCCCCCCCC)OC(C)C.CCCCCCCCOP(=O)(O)OP(=O)(OCCCCCCCC)OC(C)C.O[Ti](=O)O

InChI

InChI=1S/2C19H42O7P2.2H2O.O.Ti/c2*1-5-7-9-11-13-15-17-23-27(20,21)26-28(22,25-19(3)4)24-18-16-14-12-10-8-6-2;;;;/h2*19H,5-18H2,1-4H3,(H,20,21);2*1H2;;/q;;;;;+2/p-2