tris[1,1-bis(2,4-dibutylphenyl)-2-methyl-octyl] phosphite

Systemtic Name: tris[1,1-bis(2,4-dibutylphenyl)-2-methyl-octyl] phosphite Openeye Name: tris[1,1-bis(2,4-dibutylphenyl)-2-methyl-octyl] phosphite CAS Name: phosphorous acid tris[1,1-bis(2,4-dibutylphenyl)-2-methyloctyl] ester IUPAC Name: tris[1,1-bis(2,4-dibutylphenyl)-2-methyloctyl] phosphite Traditional Name: phosphorous acid tris[1,1-bis(2,4-dibutylphenyl)-2-methyl-octyl] ester Formula: C111H177O3P MolecularWeight: 1590.565041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C(C1=C(C=C(C=C1)CCCC)CCCC)(C2=C(C=C(C=C2)CCCC)CCCC)OP(OC(C3=C(C=C(C=C3)CCCC)CCCC)(C4=C(C=C(C=C4)CCCC)CCCC)C(C)CCCCCC)OC(C5=C(C=C(C=C5)CCCC)CCCC)(C6=C(C=C(C=C6)CCCC)CCCC)C(C)CCCCCC

Isomeric SMILES

CCCCCCC(C)C(C1=C(C=C(C=C1)CCCC)CCCC)(C2=C(C=C(C=C2)CCCC)CCCC)OP(OC(C3=C(C=C(C=C3)CCCC)CCCC)(C4=C(C=C(C=C4)CCCC)CCCC)C(C)CCCCCC)OC(C5=C(C=C(C=C5)CCCC)CCCC)(C6=C(C=C(C=C6)CCCC)CCCC)C(C)CCCCCC

InChI

InChI=1S/C111H177O3P/c1-19-34-49-52-55-88(16)109(103-76-70-91(58-37-22-4)82-97(103)64-43-28-10,104-77-71-92(59-38-23-5)83-98(104)65-44-29-11)112-115(113-110(89(17)56-53-50-35-20-2,105-78-72-93(60-39-24-6)84-99(105)66-45-30-12)106-79-73-94(61-40-25-7)85-100(106)67-46-31-13)114-111(90(18)57-54-51-36-21-3,107-80-74-95(62-41-26-8)86-101(107)68-47-32-14)108-81-75-96(63-42-27-9)87-102(108)69-48-33-15/h70-90H,19-69H2,1-18H3