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

Systemtic Name: 16-methyl-2-(2-methylprop-2-enoyl)heptadecanoic acid; oxidanyl(oxidanylidene)titanium Openeye Name: hydroxy(oxo)titanium; 16-methyl-2-(2-methylprop-2-enoyl)heptadecanoic acid CAS Name: hydroxy(oxo)titanium; 16-methyl-2-(2-methyl-1-oxoprop-2-enyl)heptadecanoic acid IUPAC Name: hydroxy(oxo)titanium; 16-methyl-2-(2-methylprop-2-enoyl)heptadecanoic acid Traditional Name: hydroxy(keto)titanium; 3-keto-4-methyl-2-(14-methylpentadecyl)pent-4-enoic acid Formula: C22H41O5Ti MolecularWeight: 433.42494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40O3.H2O.O.Ti/c1-18(2)16-14-12-10-8-6-5-7-9-11-13-15-17-20(22(24)25)21(23)19(3)4;;;/h18,20H,3,5-17H2,1-2,4H3,(H,24,25);1H2;;/q;;;+1/p-1