bis(phenylmethyl) hydrogen phosphite; heptane; oxidanyl(oxidanylidene)titanium; hydrate

Systemtic Name: bis(phenylmethyl) hydrogen phosphite; heptane; oxidanyl(oxidanylidene)titanium; hydrate Openeye Name: dibenzyl hydrogen phosphite; heptane; hydroxy(oxo)titanium; hydrate CAS Name: bis(phenylmethyl) hydrogen phosphite; heptane; hydroxy(oxo)titanium; hydrate IUPAC Name: dibenzyl hydrogen phosphite; heptane; hydroxy(oxo)titanium; hydrate Traditional Name: dibenzyl hydrogen phosphite; heptane; hydroxy(keto)titanium; hydrate Formula: C56H93O9P2Ti-4 MolecularWeight: 1020.146742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].C1=CC=C(C=C1)COP(O)OCC2=CC=CC=C2.C1=CC=C(C=C1)COP(O)OCC2=CC=CC=C2.O.O[Ti]=O

Isomeric SMILES

CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].CCCCCC[CH2-].C1=CC=C(C=C1)COP(O)OCC2=CC=CC=C2.C1=CC=C(C=C1)COP(O)OCC2=CC=CC=C2.O.O[Ti]=O

InChI

InChI=1S/2C14H15O3P.4C7H15.2H2O.O.Ti/c2*15-18(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14;4*1-3-5-7-6-4-2;;;;/h2*1-10,15H,11-12H2;4*1,3-7H2,2H3;2*1H2;;/q;;4*-1;;;;+1/p-1