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

Systemtic Name: bis(4-methylphenyl)methyl dihydrogen phosphite; bis(oxidanyl)-oxidanylidene-titanium; heptane; heptane Openeye Name: bis-p-tolylmethyl dihydrogen phosphite; dihydroxy(oxo)titanium; heptane; heptane CAS Name: bis(4-methylphenyl)methyl dihydrogen phosphite; dihydroxy(oxo)titanium; heptane; heptane IUPAC Name: bis(4-methylphenyl)methyl dihydrogen phosphite; dihydroxy(oxo)titanium; heptane; heptane Traditional Name: bis-p-tolylmethyl dihydrogen phosphite; dihydroxy(keto)titanium; heptane; n-heptane Formula: C58H99O9P2Ti- MolecularWeight: 1050.215782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC.CCCCCCC.CCCCCCC.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[Ti](=O)O

Isomeric SMILES

CCCCCCC.CCCCCCC.CCCCCCC.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[Ti](=O)O

InChI

InChI=1S/2C15H17O3P.3C7H16.C7H15.2H2O.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;3*3-7H2,1-2H3;1,3-7H2,2H3;2*1H2;;/q;;;;;-1;;;;+2/p-2