tris[1,2-bis(2,4-ditert-butylphenyl)-3-methyl-cyclobutyl] phosphite

Systemtic Name: tris[1,2-bis(2,4-ditert-butylphenyl)-3-methyl-cyclobutyl] phosphite Openeye Name: tris[1,2-bis(2,4-ditert-butylphenyl)-3-methyl-cyclobutyl] phosphite CAS Name: phosphorous acid tris[1,2-bis(2,4-ditert-butylphenyl)-3-methylcyclobutyl] ester IUPAC Name: tris[1,2-bis(2,4-ditert-butylphenyl)-3-methylcyclobutyl] phosphite Traditional Name: phosphorous acid tris[1,2-bis(2,4-ditert-butylphenyl)-3-methyl-cyclobutyl] ester Formula: C99H147O3P MolecularWeight: 1416.198441

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C1C2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)(C3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)OP(OC4(CC(C4C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)C)C6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)OC7(CC(C7C8=C(C=C(C=C8)C(C)(C)C)C(C)(C)C)C)C9=C(C=C(C=C9)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1CC(C1C2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C)(C3=C(C=C(C=C3)C(C)(C)C)C(C)(C)C)OP(OC4(CC(C4C5=C(C=C(C=C5)C(C)(C)C)C(C)(C)C)C)C6=C(C=C(C=C6)C(C)(C)C)C(C)(C)C)OC7(CC(C7C8=C(C=C(C=C8)C(C)(C)C)C(C)(C)C)C)C9=C(C=C(C=C9)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C99H147O3P/c1-61-58-97(73-49-43-67(88(13,14)15)55-79(73)94(31,32)33,82(61)70-46-40-64(85(4,5)6)52-76(70)91(22,23)24)100-103(101-98(74-50-44-68(89(16,17)18)56-80(74)95(34,35)36)59-62(2)83(98)71-47-41-65(86(7,8)9)53-77(71)92(25,26)27)102-99(75-51-45-69(90(19,20)21)57-81(75)96(37,38)39)60-63(3)84(99)72-48-42-66(87(10,11)12)54-78(72)93(28,29)30/h40-57,61-63,82-84H,58-60H2,1-39H3