oxidanyl(oxidanylidene)titanium; 2,18,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-ol

Systemtic Name: oxidanyl(oxidanylidene)titanium; 2,18,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-ol Openeye Name: hydroxy(oxo)titanium; 2,18,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-ol CAS Name: hydroxy(oxo)titanium; 2,18,35-trimethyl-19-(16-methylheptadecyl)-18-hexatriacontanol IUPAC Name: hydroxy(oxo)titanium; 2,18,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-ol Traditional Name: hydroxy(keto)titanium; 2,18,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-ol Formula: C57H117O3Ti MolecularWeight: 898.40408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)C(C)(CCCCCCCCCCCCCCCC(C)C)O.O[Ti]=O

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC(C)C)C(C)(CCCCCCCCCCCCCCCC(C)C)O.O[Ti]=O

InChI

InChI=1S/C57H116O.H2O.O.Ti/c1-53(2)47-41-35-29-23-17-11-8-14-20-26-32-38-44-50-56(51-45-39-33-27-21-15-9-12-18-24-30-36-42-48-54(3)4)57(7,58)52-46-40-34-28-22-16-10-13-19-25-31-37-43-49-55(5)6;;;/h53-56,58H,8-52H2,1-7H3;1H2;;/q;;;+1/p-1