dinaphthalen-1-ylmethyl dihydrogen phosphite; oxidanyl(oxidanylidene)titanium; undecane; hydrate

Systemtic Name: dinaphthalen-1-ylmethyl dihydrogen phosphite; oxidanyl(oxidanylidene)titanium; undecane; hydrate Openeye Name: bis(1-naphthyl)methyl dihydrogen phosphite; hydroxy(oxo)titanium; undecane; hydrate CAS Name: bis(1-naphthalenyl)methyl dihydrogen phosphite; hydroxy(oxo)titanium; undecane; hydrate IUPAC Name: dinaphthalen-1-ylmethyl dihydrogen phosphite; hydroxy(oxo)titanium; undecane; hydrate Traditional Name: bis(1-naphthyl)methyl dihydrogen phosphite; hydroxy(keto)titanium; undecane; hydrate Formula: C86H129O9P2Ti-4 MolecularWeight: 1416.753582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[CH2-].CCCCCCCCCC[CH2-].CCCCCCCCCC[CH2-].CCCCCCCCCC[CH2-].C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)OP(O)O.C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)OP(O)O.O.O[Ti]=O

Isomeric SMILES

CCCCCCCCCC[CH2-].CCCCCCCCCC[CH2-].CCCCCCCCCC[CH2-].CCCCCCCCCC[CH2-].C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)OP(O)O.C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)OP(O)O.O.O[Ti]=O

InChI

InChI=1S/2C21H17O3P.4C11H23.2H2O.O.Ti/c2*22-25(23)24-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20;4*1-3-5-7-9-11-10-8-6-4-2;;;;/h2*1-14,21-23H;4*1,3-11H2,2H3;2*1H2;;/q;;4*-1;;;;+1/p-1