4-(2,17-dimethyloctadecan-3-yl)-2,6-dimethyl-4-oxidanyl-hepta-1,6-diene-3,5-dione; oxidanyl(oxidanylidene)titanium

Systemtic Name: 4-(2,17-dimethyloctadecan-3-yl)-2,6-dimethyl-4-oxidanyl-hepta-1,6-diene-3,5-dione; oxidanyl(oxidanylidene)titanium Openeye Name: 4-hydroxy-4-(1-isopropyl-15-methyl-hexadecyl)-2,6-dimethyl-hepta-1,6-diene-3,5-dione; hydroxy(oxo)titanium CAS Name: 4-(2,17-dimethyloctadecan-3-yl)-4-hydroxy-2,6-dimethylhepta-1,6-diene-3,5-dione; hydroxy(oxo)titanium IUPAC Name: 4-(2,17-dimethyloctadecan-3-yl)-4-hydroxy-2,6-dimethylhepta-1,6-diene-3,5-dione; hydroxy(oxo)titanium Traditional Name: 4-hydroxy-4-(1-isopropyl-15-methyl-hexadecyl)-2,6-dimethyl-hepta-1,6-diene-3,5-dione; hydroxy(keto)titanium Formula: C29H53O5Ti MolecularWeight: 529.59512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H52O3.H2O.O.Ti/c1-22(2)20-18-16-14-12-10-9-11-13-15-17-19-21-26(23(3)4)29(32,27(30)24(5)6)28(31)25(7)8;;;/h22-23,26,32H,5,7,9-21H2,1-4,6,8H3;1H2;;/q;;;+1/p-1