tris(1,1-diphenyloctyl) phosphate

Systemtic Name: tris(1,1-diphenyloctyl) phosphate Openeye Name: tris(1,1-diphenyloctyl) phosphate CAS Name: phosphoric acid tris(1,1-diphenyloctyl) ester IUPAC Name: tris(1,1-diphenyloctyl) phosphate Traditional Name: phosphoric acid tris(1,1-diphenyloctyl) ester Formula: C60H75O4P MolecularWeight: 891.208861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)OP(=O)(OC(CCCCCCC)(C3=CC=CC=C3)C4=CC=CC=C4)OC(CCCCCCC)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCCCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)OP(=O)(OC(CCCCCCC)(C3=CC=CC=C3)C4=CC=CC=C4)OC(CCCCCCC)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C60H75O4P/c1-4-7-10-13-34-49-58(52-37-22-16-23-38-52,53-39-24-17-25-40-53)62-65(61,63-59(50-35-14-11-8-5-2,54-41-26-18-27-42-54)55-43-28-19-29-44-55)64-60(51-36-15-12-9-6-3,56-45-30-20-31-46-56)57-47-32-21-33-48-57/h16-33,37-48H,4-15,34-36,49-51H2,1-3H3