19-methyl-2-methylidene-3,3-di(propan-2-yl)icosanoic acid; oxidanyl(oxidanylidene)titanium

Systemtic Name: 19-methyl-2-methylidene-3,3-di(propan-2-yl)icosanoic acid; oxidanyl(oxidanylidene)titanium Openeye Name: 3,3-diisopropyl-19-methyl-2-methylene-icosanoic acid; hydroxy(oxo)titanium CAS Name: hydroxy(oxo)titanium; 19-methyl-2-methylene-3,3-di(propan-2-yl)eicosanoic acid IUPAC Name: hydroxy(oxo)titanium; 19-methyl-2-methylidene-3,3-di(propan-2-yl)icosanoic acid Traditional Name: 2-(1,1-diisopropyl-17-methyl-octadecyl)acrylic acid; hydroxy(keto)titanium Formula: C28H55O4Ti MolecularWeight: 503.6009

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54O2.H2O.O.Ti/c1-23(2)21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-28(24(3)4,25(5)6)26(7)27(29)30;;;/h23-25H,7-22H2,1-6H3,(H,29,30);1H2;;/q;;;+1/p-1