2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; oxidanylidenetitanium; propane; dihydrate

Systemtic Name: 2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; oxidanylidenetitanium; propane; dihydrate Openeye Name: 2,2-bis(m-tolyl)ethyl dihydrogen phosphite; oxotitanium; propane; dihydrate CAS Name: 2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; oxotitanium; propane; dihydrate IUPAC Name: 2,2-bis(3-methylphenyl)ethyl dihydrogen phosphite; oxotitanium; propane; dihydrate Traditional Name: 2,2-bis(m-tolyl)ethyl dihydrogen phosphite; ketotitanium; propane; dihydrate Formula: C44H70O9P2Ti-4 MolecularWeight: 852.835722

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[CH-]C.C[CH-]C.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.O.O=[Ti]

Isomeric SMILES

C[CH-]C.C[CH-]C.C[CH-]C.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.O.O=[Ti]

InChI

InChI=1S/2C16H19O3P.4C3H7.2H2O.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;4*3H,1-2H3;2*1H2;;/q;;4*-1;;;;