tris(9-octyloctadecan-9-yl) phosphate

Systemtic Name: tris(9-octyloctadecan-9-yl) phosphate Openeye Name: tris(1,1-dioctyldecyl) phosphate CAS Name: phosphoric acid tris(9-octyloctadecan-9-yl) ester IUPAC Name: tris(9-octyloctadecan-9-yl) phosphate Traditional Name: phosphoric acid tris(1,1-dioctyldecyl) ester Formula: C78H159O4P MolecularWeight: 1192.068421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C78H159O4P/c1-10-19-28-37-46-55-64-73-76(67-58-49-40-31-22-13-4,68-59-50-41-32-23-14-5)80-83(79,81-77(69-60-51-42-33-24-15-6,70-61-52-43-34-25-16-7)74-65-56-47-38-29-20-11-2)82-78(71-62-53-44-35-26-17-8,72-63-54-45-36-27-18-9)75-66-57-48-39-30-21-12-3/h10-75H2,1-9H3