tris(2,3-dioctylphenyl) phosphate

Systemtic Name: tris(2,3-dioctylphenyl) phosphate Openeye Name: tris(2,3-dioctylphenyl) phosphate CAS Name: phosphoric acid tris(2,3-dioctylphenyl) ester IUPAC Name: tris(2,3-dioctylphenyl) phosphate Traditional Name: phosphoric acid tris(2,3-dioctylphenyl) ester Formula: C66H111O4P MolecularWeight: 999.558901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CCCCCCCC)CCCCCCCC)OC3=CC=CC(=C3CCCCCCCC)CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CCCCCCCC)CCCCCCCC)OC3=CC=CC(=C3CCCCCCCC)CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C66H111O4P/c1-7-13-19-25-31-37-46-58-49-43-55-64(61(58)52-40-34-28-22-16-10-4)68-71(67,69-65-56-44-50-59(47-38-32-26-20-14-8-2)62(65)53-41-35-29-23-17-11-5)70-66-57-45-51-60(48-39-33-27-21-15-9-3)63(66)54-42-36-30-24-18-12-6/h43-45,49-51,55-57H,7-42,46-48,52-54H2,1-6H3