tris(9-pentylheptadecan-9-yl) phosphate

Systemtic Name: tris(9-pentylheptadecan-9-yl) phosphate Openeye Name: tris(1-octyl-1-pentyl-nonyl) phosphate CAS Name: phosphoric acid tris(9-pentylheptadecan-9-yl) ester IUPAC Name: tris(9-pentylheptadecan-9-yl) phosphate Traditional Name: phosphoric acid tris(1-amyl-1-octyl-nonyl) ester Formula: C66H135O4P MolecularWeight: 1023.749461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCC)(CCCCCCCC)OP(=O)(OC(CCCCC)(CCCCCCCC)CCCCCCCC)OC(CCCCC)(CCCCCCCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(CCCCC)(CCCCCCCC)OP(=O)(OC(CCCCC)(CCCCCCCC)CCCCCCCC)OC(CCCCC)(CCCCCCCC)CCCCCCCC

InChI

InChI=1S/C66H135O4P/c1-10-19-28-34-40-49-58-64(55-46-25-16-7,59-50-41-35-29-20-11-2)68-71(67,69-65(56-47-26-17-8,60-51-42-36-30-21-12-3)61-52-43-37-31-22-13-4)70-66(57-48-27-18-9,62-53-44-38-32-23-14-5)63-54-45-39-33-24-15-6/h10-63H2,1-9H3