16-methyl-2,2-bis(2-methylprop-2-enoyl)heptadecanoic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: 16-methyl-2,2-bis(2-methylprop-2-enoyl)heptadecanoic acid; oxidanyl(oxidanylidene)titanium Openeye Name: hydroxy(oxo)titanium; 16-methyl-2,2-bis(2-methylprop-2-enoyl)heptadecanoic acid CAS Name: hydroxy(oxo)titanium; 16-methyl-2,2-bis(2-methyl-1-oxoprop-2-enyl)heptadecanoic acid IUPAC Name: hydroxy(oxo)titanium; 16-methyl-2,2-bis(2-methylprop-2-enoyl)heptadecanoic acid Traditional Name: hydroxy(keto)titanium; 3-keto-2-methacryloyl-4-methyl-2-(14-methylpentadecyl)pent-4-enoic acid Formula: C26H45O6Ti MolecularWeight: 501.4989

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O4.H2O.O.Ti/c1-20(2)18-16-14-12-10-8-7-9-11-13-15-17-19-26(25(29)30,23(27)21(3)4)24(28)22(5)6;;;/h20H,3,5,7-19H2,1-2,4,6H3,(H,29,30);1H2;;/q;;;+1/p-1