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

Systemtic Name: 16-methylheptadecanoic acid; oxidanyl(oxidanylidene)titanium; propane Openeye Name: hydroxy(oxo)titanium; 16-methylheptadecanoic acid; propane CAS Name: hydroxy(oxo)titanium; 16-methylheptadecanoic acid; propane IUPAC Name: hydroxy(oxo)titanium; 16-methylheptadecanoic acid; propane Traditional Name: hydroxy(keto)titanium; 16-methylheptadecanoic acid; propane Formula: C27H58O4Ti-3 MolecularWeight: 494.61402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.3C3H7.H2O.O.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;3*1-3-2;;;/h17H,3-16H2,1-2H3,(H,19,20);3*3H,1-2H3;1H2;;/q;3*-1;;;+1/p-1