2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; bis(oxidanyl)-oxidanylidene-titanium; propane; propane

Systemtic Name: 2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; bis(oxidanyl)-oxidanylidene-titanium; propane; propane Openeye Name: 2,2-bis(m-tolyl)ethyl dihydrogen phosphite; dihydroxy(oxo)titanium; propane; propane CAS Name: 2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; dihydroxy(oxo)titanium; propane; propane IUPAC Name: 2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; dihydroxy(oxo)titanium; propane; propane Traditional Name: 2,2-bis(m-tolyl)ethyl dihydrogen phosphite; dihydroxy(keto)titanium; n-propane; propane Formula: C44H71O9P2Ti- MolecularWeight: 853.843662

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Descriptors Computed from Structure

Canonical SMILES:

CCC.CCC.CCC.C[CH-]C.CC1=CC(=CC=C1)C(COP(O)O)C2=CC=CC(=C2)C.CC1=CC(=CC=C1)C(COP(O)O)C2=CC=CC(=C2)C.O[Ti](=O)O

Isomeric SMILES

CCC.CCC.CCC.C[CH-]C.CC1=CC(=CC=C1)C(COP(O)O)C2=CC=CC(=C2)C.CC1=CC(=CC=C1)C(COP(O)O)C2=CC=CC(=C2)C.O[Ti](=O)O

InChI

InChI=1S/2C16H19O3P.3C3H8.C3H7.2H2O.O.Ti/c2*1-12-5-3-7-14(9-12)16(11-19-20(17)18)15-8-4-6-13(2)10-15;4*1-3-2;;;;/h2*3-10,16-18H,11H2,1-2H3;3*3H2,1-2H3;3H,1-2H3;2*1H2;;/q;;;;;-1;;;;+2/p-2