tris(2-ethyl-1,1-diphenyl-hexyl) phosphate

Systemtic Name: tris(2-ethyl-1,1-diphenyl-hexyl) phosphate Openeye Name: tris(2-ethyl-1,1-diphenyl-hexyl) phosphate CAS Name: phosphoric acid tris(2-ethyl-1,1-diphenylhexyl) ester IUPAC Name: tris(2-ethyl-1,1-diphenylhexyl) phosphate Traditional Name: phosphoric acid tris(2-ethyl-1,1-diphenyl-hexyl) ester Formula: C60H75O4P MolecularWeight: 891.208861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(C1=CC=CC=C1)(C2=CC=CC=C2)OP(=O)(OC(C3=CC=CC=C3)(C4=CC=CC=C4)C(CC)CCCC)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C(CC)CCCC

Isomeric SMILES

CCCCC(CC)C(C1=CC=CC=C1)(C2=CC=CC=C2)OP(=O)(OC(C3=CC=CC=C3)(C4=CC=CC=C4)C(CC)CCCC)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C(CC)CCCC

InChI

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