tris[(2-hexadecylphenyl)methyl] phosphate

Systemtic Name: tris[(2-hexadecylphenyl)methyl] phosphate Openeye Name: tris[(2-hexadecylphenyl)methyl] phosphate CAS Name: phosphoric acid tris[(2-hexadecylphenyl)methyl] ester IUPAC Name: tris[(2-hexadecylphenyl)methyl] phosphate Traditional Name: phosphoric acid tris(2-cetylbenzyl) ester Formula: C69H117O4P MolecularWeight: 1041.638641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1COP(=O)(OCC2=CC=CC=C2CCCCCCCCCCCCCCCC)OCC3=CC=CC=C3CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1COP(=O)(OCC2=CC=CC=C2CCCCCCCCCCCCCCCC)OCC3=CC=CC=C3CCCCCCCCCCCCCCCC

InChI

InChI=1S/C69H117O4P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52-64-55-46-49-58-67(64)61-71-74(70,72-62-68-59-50-47-56-65(68)53-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)73-63-69-60-51-48-57-66(69)54-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h46-51,55-60H,4-45,52-54,61-63H2,1-3H3