tris(3-methyl-1,1-diphenyl-but-3-enyl) phosphate

Systemtic Name: tris(3-methyl-1,1-diphenyl-but-3-enyl) phosphate Openeye Name: tris(3-methyl-1,1-diphenyl-but-3-enyl) phosphate CAS Name: phosphoric acid tris(3-methyl-1,1-diphenylbut-3-enyl) ester IUPAC Name: tris(3-methyl-1,1-diphenylbut-3-enyl) phosphate Traditional Name: phosphoric acid tris(3-methyl-1,1-diphenyl-but-3-enyl) ester Formula: C51H51O4P MolecularWeight: 758.922001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C51H51O4P/c1-40(2)37-49(43-25-13-7-14-26-43,44-27-15-8-16-28-44)53-56(52,54-50(38-41(3)4,45-29-17-9-18-30-45)46-31-19-10-20-32-46)55-51(39-42(5)6,47-33-21-11-22-34-47)48-35-23-12-24-36-48/h7-36H,1,3,5,37-39H2,2,4,6H3