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

Systemtic Name: tris[1,1-bis(2,4-ditert-butylphenyl)-2-methyl-octyl] phosphite Openeye Name: tris[1,1-bis(2,4-ditert-butylphenyl)-2-methyl-octyl] phosphite CAS Name: phosphorous acid tris[1,1-bis(2,4-ditert-butylphenyl)-2-methyloctyl] ester IUPAC Name: tris[1,1-bis(2,4-ditert-butylphenyl)-2-methyloctyl] phosphite Traditional Name: phosphorous acid tris[1,1-bis(2,4-ditert-butylphenyl)-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)C(C)(C)C)C(C)(C)C)(C2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)OP(OC(C3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)(C4=C(C=C(C=C4)C(C)(C)C)C(C)(C)C)C(C)CCCCCC)OC(C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)(C6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)C(C)CCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C111H177O3P/c1-43-46-49-52-55-76(4)109(85-64-58-79(97(7,8)9)70-91(85)103(25,26)27,86-65-59-80(98(10,11)12)71-92(86)104(28,29)30)112-115(113-110(77(5)56-53-50-47-44-2,87-66-60-81(99(13,14)15)72-93(87)105(31,32)33)88-67-61-82(100(16,17)18)73-94(88)106(34,35)36)114-111(78(6)57-54-51-48-45-3,89-68-62-83(101(19,20)21)74-95(89)107(37,38)39)90-69-63-84(102(22,23)24)75-96(90)108(40,41)42/h58-78H,43-57H2,1-42H3