tris(9-octylicosan-9-yl) phosphate

Systemtic Name: tris(9-octylicosan-9-yl) phosphate Openeye Name: tris(1,1-dioctyldodecyl) phosphate CAS Name: phosphoric acid tris(9-octyleicosan-9-yl) ester IUPAC Name: tris(9-octylicosan-9-yl) phosphate Traditional Name: phosphoric acid tris(1,1-dioctyldodecyl) ester Formula: C84H171O4P MolecularWeight: 1276.227901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OP(=O)(OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCCCCCCC)(CCCCCCCC)OP(=O)(OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC)OC(CCCCCCCC)(CCCCCCCC)CCCCCCCCCCC

InChI

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