titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-olate

Systemtic Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-olate Openeye Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-olate CAS Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecyl)-18-hexatriacontanolate IUPAC Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-olate Traditional Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecyl)hexatriacontan-18-olate Formula: C228H460O4Ti MolecularWeight: 3313.9566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].[Ti+4]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].CC(C)CCCCCCCCCCCCCCCC(C(C)(CCCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCCC(C)C)[O-].[Ti+4]

InChI

InChI=1S/4C57H115O.Ti/c4*1-53(2)47-41-35-29-23-17-11-8-14-20-26-32-38-44-50-56(58)57(7,51-45-39-33-27-21-15-9-12-18-24-30-36-42-48-54(3)4)52-46-40-34-28-22-16-10-13-19-25-31-37-43-49-55(5)6;/h4*53-56H,8-52H2,1-7H3;/q4*-1;+4