bis(4-methylphenyl)methyl dihydrogen phosphite; heptane; oxidanyl(oxidanylidene)titanium; hydrate

Systemtic Name: bis(4-methylphenyl)methyl dihydrogen phosphite; heptane; oxidanyl(oxidanylidene)titanium; hydrate Openeye Name: bis-p-tolylmethyl dihydrogen phosphite; heptane; hydroxy(oxo)titanium; hydrate CAS Name: bis(4-methylphenyl)methyl dihydrogen phosphite; heptane; hydroxy(oxo)titanium; hydrate IUPAC Name: bis(4-methylphenyl)methyl dihydrogen phosphite; heptane; hydroxy(oxo)titanium; hydrate Traditional Name: bis-p-tolylmethyl dihydrogen phosphite; heptane; hydroxy(keto)titanium; hydrate Formula: C58H97O9P2Ti-4 MolecularWeight: 1048.199902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)OP(O)O.CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)OP(O)O.O.O[Ti]=O

Isomeric SMILES

CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)OP(O)O.CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)OP(O)O.O.O[Ti]=O

InChI

InChI=1S/2C15H17O3P.4C7H15.2H2O.O.Ti/c2*1-11-3-7-13(8-4-11)15(18-19(16)17)14-9-5-12(2)6-10-14;4*1-3-5-7-6-4-2;;;;/h2*3-10,15-17H,1-2H3;4*1,3-7H2,2H3;2*1H2;;/q;;4*-1;;;;+1/p-1