carbanide; diphenyl hydrogen phosphite; oxidanyl(oxidanylidene)titanium; hydrate

Systemtic Name: carbanide; diphenyl hydrogen phosphite; oxidanyl(oxidanylidene)titanium; hydrate Openeye Name: carbanide; diphenyl hydrogen phosphite; hydroxy(oxo)titanium; hydrate CAS Name: carbanide; diphenyl hydrogen phosphite; hydroxy(oxo)titanium; hydrate IUPAC Name: carbanide; diphenyl hydrogen phosphite; hydroxy(oxo)titanium; hydrate Traditional Name: carbanide; diphenyl hydrogen phosphite; hydroxy(keto)titanium; hydrate Formula: C28H37O9P2Ti-4 MolecularWeight: 627.402502

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)OP(O)OC2=CC=CC=C2.C1=CC=C(C=C1)OP(O)OC2=CC=CC=C2.O.O[Ti]=O

Isomeric SMILES

[CH3-].[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)OP(O)OC2=CC=CC=C2.C1=CC=C(C=C1)OP(O)OC2=CC=CC=C2.O.O[Ti]=O

InChI

InChI=1S/2C12H11O3P.4CH3.2H2O.O.Ti/c2*13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;;;;;;;;/h2*1-10,13H;4*1H3;2*1H2;;/q;;4*-1;;;;+1/p-1