tris(11-heptylhenicosan-11-yl) phosphate

Systemtic Name: tris(11-heptylhenicosan-11-yl) phosphate Openeye Name: tris(1-decyl-1-heptyl-undecyl) phosphate CAS Name: phosphoric acid tris(11-heptylheneicosan-11-yl) ester IUPAC Name: tris(11-heptylhenicosan-11-yl) phosphate Traditional Name: phosphoric acid tris(1-decyl-1-heptyl-undecyl) ester Formula: C84H171O4P MolecularWeight: 1276.227901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCC)(CCCCCCCCCC)OP(=O)(OC(CCCCCCC)(CCCCCCCCCC)CCCCCCCCCC)OC(CCCCCCC)(CCCCCCCCCC)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(CCCCCCC)(CCCCCCCCCC)OP(=O)(OC(CCCCCCC)(CCCCCCCCCC)CCCCCCCCCC)OC(CCCCCCC)(CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C84H171O4P/c1-10-19-28-37-43-49-58-67-76-82(73-64-55-34-25-16-7,77-68-59-50-44-38-29-20-11-2)86-89(85,87-83(74-65-56-35-26-17-8,78-69-60-51-45-39-30-21-12-3)79-70-61-52-46-40-31-22-13-4)88-84(75-66-57-36-27-18-9,80-71-62-53-47-41-32-23-14-5)81-72-63-54-48-42-33-24-15-6/h10-81H2,1-9H3