bis(oxidanyl)-oxidanylidene-titanium; dioctyl hydrogen phosphate; 16-methylheptadecan-1-one

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; dioctyl hydrogen phosphate; 16-methylheptadecan-1-one Openeye Name: dihydroxy(oxo)titanium; dioctyl hydrogen phosphate; 16-methylheptadecan-1-one CAS Name: dihydroxy(oxo)titanium; dioctyl hydrogen phosphate; 16-methyl-1-heptadecanone IUPAC Name: dihydroxy(oxo)titanium; dioctyl hydrogen phosphate; 16-methylheptadecan-1-one Traditional Name: dihydroxy(keto)titanium; dioctyl hydrogen phosphate; 16-methylheptadecan-1-one Formula: C66H142O16P3Ti- MolecularWeight: 1332.612363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H35O.3C16H35O4P.2H2O.O.Ti/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19;3*1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;;;;/h18H,3-16H2,1-2H3;3*3-16H2,1-2H3,(H,17,18);2*1H2;;/q-1;;;;;;;+2/p-2