tris[2,4-bis(1-phenylethyl)phenyl] phosphate

Systemtic Name: tris[2,4-bis(1-phenylethyl)phenyl] phosphate Openeye Name: tris[2,4-bis(1-phenylethyl)phenyl] phosphate CAS Name: phosphoric acid tris[2,4-bis(1-phenylethyl)phenyl] ester IUPAC Name: tris[2,4-bis(1-phenylethyl)phenyl] phosphate Traditional Name: phosphoric acid tris[2,4-bis(1-phenylethyl)phenyl] ester Formula: C66H63O4P MolecularWeight: 951.177781

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(C=C2)OP(=O)(OC3=C(C=C(C=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)OC6=C(C=C(C=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)C(C)C9=CC=CC=C9

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(C=C2)OP(=O)(OC3=C(C=C(C=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)OC6=C(C=C(C=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)C(C)C9=CC=CC=C9

InChI

InChI=1S/C66H63O4P/c1-46(52-25-13-7-14-26-52)58-37-40-64(61(43-58)49(4)55-31-19-10-20-32-55)68-71(67,69-65-41-38-59(47(2)53-27-15-8-16-28-53)44-62(65)50(5)56-33-21-11-22-34-56)70-66-42-39-60(48(3)54-29-17-9-18-30-54)45-63(66)51(6)57-35-23-12-24-36-57/h7-51H,1-6H3