bis(2,4-dimethylphenyl) hydrogen phosphite; 2-methylpropane; oxidanylidenetitanium; dihydrate

Systemtic Name: bis(2,4-dimethylphenyl) hydrogen phosphite; 2-methylpropane; oxidanylidenetitanium; dihydrate Openeye Name: bis(2,4-dimethylphenyl) hydrogen phosphite; 2-methylpropane; oxotitanium; dihydrate CAS Name: bis(2,4-dimethylphenyl) hydrogen phosphite; 2-methylpropane; oxotitanium; dihydrate IUPAC Name: bis(2,4-dimethylphenyl) hydrogen phosphite; 2-methylpropane; oxotitanium; dihydrate Traditional Name: bis(2,4-dimethylphenyl) hydrogen phosphite; ketotitanium; 2-methylpropane; dihydrate Formula: C48H78O9P2Ti-4 MolecularWeight: 908.942042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OP(O)OC2=C(C=C(C=C2)C)C)C.CC1=CC(=C(C=C1)OP(O)OC2=C(C=C(C=C2)C)C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.O.O.O=[Ti]

Isomeric SMILES

CC1=CC(=C(C=C1)OP(O)OC2=C(C=C(C=C2)C)C)C.CC1=CC(=C(C=C1)OP(O)OC2=C(C=C(C=C2)C)C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.C[C-](C)C.O.O.O=[Ti]

InChI

InChI=1S/2C16H19O3P.4C4H9.2H2O.O.Ti/c2*1-11-5-7-15(13(3)9-11)18-20(17)19-16-8-6-12(2)10-14(16)4;4*1-4(2)3;;;;/h2*5-10,17H,1-4H3;4*1-3H3;2*1H2;;/q;;4*-1;;;;