tris(4-icosyl-2,3-diphenyl-phenyl) phosphite

Systemtic Name: tris(4-icosyl-2,3-diphenyl-phenyl) phosphite Openeye Name: tris(4-icosyl-2,3-diphenyl-phenyl) phosphite CAS Name: phosphorous acid tris(4-eicosyl-2,3-diphenylphenyl) ester IUPAC Name: tris(4-icosyl-2,3-diphenylphenyl) phosphite Traditional Name: phosphorous acid tris(4-arachyl-2,3-diphenyl-phenyl) ester Formula: C114H159O3P MolecularWeight: 1608.454221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)OP(OC2=C(C(=C(C=C2)CCCCCCCCCCCCCCCCCCCC)C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C(=C(C=C5)CCCCCCCCCCCCCCCCCCCC)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1=C(C(=C(C=C1)OP(OC2=C(C(=C(C=C2)CCCCCCCCCCCCCCCCCCCC)C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C(=C(C=C5)CCCCCCCCCCCCCCCCCCCC)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C114H159O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-61-88-103-91-94-106(112(100-82-70-58-71-83-100)109(103)97-76-64-55-65-77-97)115-118(116-107-95-92-104(110(98-78-66-56-67-79-98)113(107)101-84-72-59-73-85-101)89-62-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)117-108-96-93-105(111(99-80-68-57-69-81-99)114(108)102-86-74-60-75-87-102)90-63-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h55-60,64-87,91-96H,4-54,61-63,88-90H2,1-3H3