bis(4-dodecylphenyl) hydrogen phosphite; octane; oxidanylidenetitanium; dihydrate

Systemtic Name: bis(4-dodecylphenyl) hydrogen phosphite; octane; oxidanylidenetitanium; dihydrate Openeye Name: bis(4-dodecylphenyl) hydrogen phosphite; octane; oxotitanium; dihydrate CAS Name: bis(4-dodecylphenyl) hydrogen phosphite; octane; oxotitanium; dihydrate IUPAC Name: bis(4-dodecylphenyl) hydrogen phosphite; octane; oxotitanium; dihydrate Traditional Name: bis(4-laurylphenyl) hydrogen phosphite; ketotitanium; octane; dihydrate Formula: C104H190O9P2Ti-4 MolecularWeight: 1694.430522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[CH2-].CCCCCCC[CH2-].CCCCCCC[CH2-].CCCCCCC[CH2-].CCCCCCCCCCCCC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)CCCCCCCCCCCC.CCCCCCCCCCCCC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)CCCCCCCCCCCC.O.O.O=[Ti]

Isomeric SMILES

CCCCCCC[CH2-].CCCCCCC[CH2-].CCCCCCC[CH2-].CCCCCCC[CH2-].CCCCCCCCCCCCC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)CCCCCCCCCCCC.CCCCCCCCCCCCC1=CC=C(C=C1)OP(O)OC2=CC=C(C=C2)CCCCCCCCCCCC.O.O.O=[Ti]

InChI

InChI=1S/2C36H59O3P.4C8H17.2H2O.O.Ti/c2*1-3-5-7-9-11-13-15-17-19-21-23-33-25-29-35(30-26-33)38-40(37)39-36-31-27-34(28-32-36)24-22-20-18-16-14-12-10-8-6-4-2;4*1-3-5-7-8-6-4-2;;;;/h2*25-32,37H,3-24H2,1-2H3;4*1,3-8H2,2H3;2*1H2;;/q;;4*-1;;;;