titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecanoyl)-17,20-bis(oxidanylidene)hexatriacontan-18-olate

Systemtic Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecanoyl)-17,20-bis(oxidanylidene)hexatriacontan-18-olate Openeye Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecanoyl)-17,20-dioxo-hexatriacontan-18-olate CAS Name: titanium(4+); 2,19,35-trimethyl-19-(16-methyl-1-oxoheptadecyl)-17,20-dioxo-18-hexatriacontanolate IUPAC Name: titanium(4+); 2,19,35-trimethyl-19-(16-methylheptadecanoyl)-17,20-dioxohexatriacontan-18-olate Traditional Name: 17,20-diketo-2,19,35-trimethyl-19-(16-methylheptadecanoyl)hexatriacontan-18-olate; titanium(4+) Formula: C228H436O16Ti MolecularWeight: 3481.75884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C57H109O4.Ti/c4*1-50(2)44-38-32-26-20-14-8-11-17-23-29-35-41-47-53(58)56(61)57(7,54(59)48-42-36-30-24-18-12-9-15-21-27-33-39-45-51(3)4)55(60)49-43-37-31-25-19-13-10-16-22-28-34-40-46-52(5)6;/h4*50-52,56H,8-49H2,1-7H3;/q4*-1;+4