tris[2,3-bis(2-ethylhexyl)phenyl] phosphate

Systemtic Name: tris[2,3-bis(2-ethylhexyl)phenyl] phosphate Openeye Name: tris[2,3-bis(2-ethylhexyl)phenyl] phosphate CAS Name: phosphoric acid tris[2,3-bis(2-ethylhexyl)phenyl] ester IUPAC Name: tris[2,3-bis(2-ethylhexyl)phenyl] phosphate Traditional Name: phosphoric acid tris[2,3-bis(2-ethylhexyl)phenyl] ester Formula: C66H111O4P MolecularWeight: 999.558901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CC(CC)CCCC)CC(CC)CCCC)OC3=CC=CC(=C3CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC

Isomeric SMILES

CCCCC(CC)CC1=C(C(=CC=C1)OP(=O)(OC2=CC=CC(=C2CC(CC)CCCC)CC(CC)CCCC)OC3=CC=CC(=C3CC(CC)CCCC)CC(CC)CCCC)CC(CC)CCCC

InChI

InChI=1S/C66H111O4P/c1-13-25-34-52(19-7)46-58-40-31-43-64(61(58)49-55(22-10)37-28-16-4)68-71(67,69-65-44-32-41-59(47-53(20-8)35-26-14-2)62(65)50-56(23-11)38-29-17-5)70-66-45-33-42-60(48-54(21-9)36-27-15-3)63(66)51-57(24-12)39-30-18-6/h31-33,40-45,52-57H,13-30,34-39,46-51H2,1-12H3