tris[2,3-bis(2,4-dibutylphenyl)phenyl] phosphite

Systemtic Name: tris[2,3-bis(2,4-dibutylphenyl)phenyl] phosphite Openeye Name: tris[2,3-bis(2,4-dibutylphenyl)phenyl] phosphite CAS Name: phosphorous acid tris[2,3-bis(2,4-dibutylphenyl)phenyl] ester IUPAC Name: tris[2,3-bis(2,4-dibutylphenyl)phenyl] phosphite Traditional Name: phosphorous acid tris[2,3-bis(2,4-dibutylphenyl)phenyl] ester Formula: C102H135O3P MolecularWeight: 1440.135261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)C2=C(C(=CC=C2)OP(OC3=CC=CC(=C3C4=C(C=C(C=C4)CCCC)CCCC)C5=C(C=C(C=C5)CCCC)CCCC)OC6=CC=CC(=C6C7=C(C=C(C=C7)CCCC)CCCC)C8=C(C=C(C=C8)CCCC)CCCC)C9=C(C=C(C=C9)CCCC)CCCC)CCCC

Isomeric SMILES

CCCCC1=CC(=C(C=C1)C2=C(C(=CC=C2)OP(OC3=CC=CC(=C3C4=C(C=C(C=C4)CCCC)CCCC)C5=C(C=C(C=C5)CCCC)CCCC)OC6=CC=CC(=C6C7=C(C=C(C=C7)CCCC)CCCC)C8=C(C=C(C=C8)CCCC)CCCC)C9=C(C=C(C=C9)CCCC)CCCC)CCCC

InChI

InChI=1S/C102H135O3P/c1-13-25-40-76-58-64-88(82(70-76)46-31-19-7)94-52-37-55-97(100(94)91-67-61-79(43-28-16-4)73-85(91)49-34-22-10)103-106(104-98-56-38-53-95(89-65-59-77(41-26-14-2)71-83(89)47-32-20-8)101(98)92-68-62-80(44-29-17-5)74-86(92)50-35-23-11)105-99-57-39-54-96(90-66-60-78(42-27-15-3)72-84(90)48-33-21-9)102(99)93-69-63-81(45-30-18-6)75-87(93)51-36-24-12/h37-39,52-75H,13-36,40-51H2,1-12H3