bis(oxidanyl)-oxidanylidene-titanium; [octoxy(oxidanyl)phosphoryl] octyl hydrogen phosphate

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; [octoxy(oxidanyl)phosphoryl] octyl hydrogen phosphate Openeye Name: dihydroxy(oxo)titanium; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate CAS Name: dihydroxy(oxo)titanium; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate IUPAC Name: dihydroxy(oxo)titanium; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate Traditional Name: dihydroxy(keto)titanium; [hydroxy(octoxy)phosphoryl] octyl hydrogen phosphate Formula: C48H110O24P6Ti MolecularWeight: 1305.082166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C16H36O7P2.2H2O.O.Ti/c3*1-3-5-7-9-11-13-15-21-24(17,18)23-25(19,20)22-16-14-12-10-8-6-4-2;;;;/h3*3-16H2,1-2H3,(H,17,18)(H,19,20);2*1H2;;/q;;;;;;+2/p-2