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

Systemtic Name: bis(4-dodecylphenyl) hydrogen phosphite; oxidanylidenetitanium; propane; dihydrate Openeye Name: bis(4-dodecylphenyl) hydrogen phosphite; oxotitanium; propane; dihydrate CAS Name: bis(4-dodecylphenyl) hydrogen phosphite; oxotitanium; propane; dihydrate IUPAC Name: bis(4-dodecylphenyl) hydrogen phosphite; oxotitanium; propane; dihydrate Traditional Name: bis(4-laurylphenyl) hydrogen phosphite; ketotitanium; propane; dihydrate Formula: C84H150O9P2Ti-4 MolecularWeight: 1413.898922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C36H59O3P.4C3H7.2H2O.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*1-3-2;;;;/h2*25-32,37H,3-24H2,1-2H3;4*3H,1-2H3;2*1H2;;/q;;4*-1;;;;