bis(oxidanyl)-oxidanylidene-titanium; 16-methylheptadecanoic acid; propane

Systemtic Name: bis(oxidanyl)-oxidanylidene-titanium; 16-methylheptadecanoic acid; propane Openeye Name: dihydroxy(oxo)titanium; 16-methylheptadecanoic acid; propane CAS Name: dihydroxy(oxo)titanium; 16-methylheptadecanoic acid; propane IUPAC Name: dihydroxy(oxo)titanium; 16-methylheptadecanoic acid; propane Traditional Name: dihydroxy(keto)titanium; 16-methylheptadecanoic acid; n-propane Formula: C57H118O9Ti MolecularWeight: 995.40842

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.O[Ti](=O)O

Isomeric SMILES

CCC.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.O[Ti](=O)O

InChI

InChI=1S/3C18H36O2.C3H8.2H2O.O.Ti/c3*1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-2;;;;/h3*17H,3-16H2,1-2H3,(H,19,20);3H2,1-2H3;2*1H2;;/q;;;;;;;+2/p-2