bis(4-methylphenyl) hydrogen phosphite; 2-methanidylpropane; oxidanylidenetitanium; dihydrate

Systemtic Name: bis(4-methylphenyl) hydrogen phosphite; 2-methanidylpropane; oxidanylidenetitanium; dihydrate Openeye Name: bis-p-tolyl hydrogen phosphite; 2-methanidylpropane; oxotitanium; dihydrate CAS Name: bis(4-methylphenyl) hydrogen phosphite; 2-methanidylpropane; oxotitanium; dihydrate IUPAC Name: bis(4-methylphenyl) hydrogen phosphite; 2-methanidylpropane; oxotitanium; dihydrate Traditional Name: bis-p-tolyl hydrogen phosphite; ketotitanium; 2-methanidylpropane; dihydrate Formula: C44H70O9P2Ti-4 MolecularWeight: 852.835722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)C.CC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)C.CC(C)[CH2-].CC(C)[CH2-].CC(C)[CH2-].CC(C)[CH2-].O.O.O=[Ti]

Isomeric SMILES

CC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)C.CC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)C.CC(C)[CH2-].CC(C)[CH2-].CC(C)[CH2-].CC(C)[CH2-].O.O.O=[Ti]

InChI

InChI=1S/2C14H15O3P.4C4H9.2H2O.O.Ti/c2*1-11-3-7-13(8-4-11)16-18(15)17-14-9-5-12(2)6-10-14;4*1-4(2)3;;;;/h2*3-10,15H,1-2H3;4*4H,1H2,2-3H3;2*1H2;;/q;;4*-1;;;;