tris(4,5-dimethyl-2,3-diphenyl-phenyl) phosphate

Systemtic Name: tris(4,5-dimethyl-2,3-diphenyl-phenyl) phosphate Openeye Name: tris(4,5-dimethyl-2,3-diphenyl-phenyl) phosphate CAS Name: phosphoric acid tris(4,5-dimethyl-2,3-diphenylphenyl) ester IUPAC Name: tris(4,5-dimethyl-2,3-diphenylphenyl) phosphate Traditional Name: phosphoric acid tris(4,5-dimethyl-2,3-diphenyl-phenyl) ester Formula: C60H51O4P MolecularWeight: 867.018301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)C2=CC=CC=C2)C3=CC=CC=C3)OP(=O)(OC4=C(C(=C(C(=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6)OC7=C(C(=C(C(=C7)C)C)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CC1=CC(=C(C(=C1C)C2=CC=CC=C2)C3=CC=CC=C3)OP(=O)(OC4=C(C(=C(C(=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6)OC7=C(C(=C(C(=C7)C)C)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C60H51O4P/c1-40-37-52(58(49-31-19-10-20-32-49)55(43(40)4)46-25-13-7-14-26-46)62-65(61,63-53-38-41(2)44(5)56(47-27-15-8-16-28-47)59(53)50-33-21-11-22-34-50)64-54-39-42(3)45(6)57(48-29-17-9-18-30-48)60(54)51-35-23-12-24-36-51/h7-39H,1-6H3