benzene; benzene; bis(oxidanyl)-oxidanylidene-titanium; dipropan-2-yl hydrogen phosphite; methane

Systemtic Name: benzene; benzene; bis(oxidanyl)-oxidanylidene-titanium; dipropan-2-yl hydrogen phosphite; methane Openeye Name: benzene; benzene; dihydroxy(oxo)titanium; diisopropyl hydrogen phosphite; methane CAS Name: benzene; benzene; dihydroxy(oxo)titanium; dipropan-2-yl hydrogen phosphite; methane IUPAC Name: benzene; benzene; dihydroxy(oxo)titanium; dipropan-2-yl hydrogen phosphite; methane Traditional Name: benzene; benzene; dihydroxy(keto)titanium; diisopropyl hydrogen phosphite; methane Formula: C26H51O9P2Ti- MolecularWeight: 617.492262

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Descriptors Computed from Structure

Canonical SMILES:

C.C.CC(C)OP(O)OC(C)C.CC(C)OP(O)OC(C)C.C1=CC=CC=C1.C1=CC=[C-]C=C1.O[Ti](=O)O

Isomeric SMILES

C.C.CC(C)OP(O)OC(C)C.CC(C)OP(O)OC(C)C.C1=CC=CC=C1.C1=CC=[C-]C=C1.O[Ti](=O)O

InChI

InChI=1S/2C6H15O3P.C6H6.C6H5.2CH4.2H2O.O.Ti/c2*1-5(2)8-10(7)9-6(3)4;2*1-2-4-6-5-3-1;;;;;;/h2*5-7H,1-4H3;1-6H;1-5H;2*1H4;2*1H2;;/q;;;-1;;;;;;+2/p-2