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; propane Formula: C57H117O9Ti- MolecularWeight: 994.40048

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.O[Ti](=O)O

Isomeric SMILES

C[CH-]C.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.O[Ti](=O)O

InChI

InChI=1S/3C18H36O2.C3H7.2H2O.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);3H,1-2H3;2*1H2;;/q;;;-1;;;;+2/p-2