2,3-bis(7-methyloctyl)phenol; dodecane; oxidanyl(oxidanylidene)titanium

Systemtic Name: 2,3-bis(7-methyloctyl)phenol; dodecane; oxidanyl(oxidanylidene)titanium Openeye Name: 2,3-bis(7-methyloctyl)phenol; dodecane; hydroxy(oxo)titanium CAS Name: 2,3-bis(7-methyloctyl)phenol; dodecane; hydroxy(oxo)titanium IUPAC Name: 2,3-bis(7-methyloctyl)phenol; dodecane; hydroxy(oxo)titanium Traditional Name: 2,3-bis(7-methyloctyl)phenol; dodecane; hydroxy(keto)titanium Formula: C48H93O3Ti-2 MolecularWeight: 766.11722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CC(C)CCCCCCC1=C(C(=CC=C1)O)CCCCCCC(C)C.O[Ti]=O

Isomeric SMILES

CCCCCCCCCCC[CH2-].CCCCCCCCCCC[CH2-].CC(C)CCCCCCC1=C(C(=CC=C1)O)CCCCCCC(C)C.O[Ti]=O

InChI

InChI=1S/C24H42O.2C12H25.H2O.O.Ti/c1-20(2)14-9-5-7-11-16-22-17-13-19-24(25)23(22)18-12-8-6-10-15-21(3)4;2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h13,17,19-21,25H,5-12,14-16,18H2,1-4H3;2*1,3-12H2,2H3;1H2;;/q;2*-1;;;+1/p-1