tris[1,1-bis(2,4-ditert-butyl-6-methyl-phenyl)ethyl] phosphite

Systemtic Name: tris[1,1-bis(2,4-ditert-butyl-6-methyl-phenyl)ethyl] phosphite Openeye Name: tris[1,1-bis(2,4-ditert-butyl-6-methyl-phenyl)ethyl] phosphite CAS Name: phosphorous acid tris[1,1-bis(2,4-ditert-butyl-6-methylphenyl)ethyl] ester IUPAC Name: tris[1,1-bis(2,4-ditert-butyl-6-methylphenyl)ethyl] phosphite Traditional Name: phosphorous acid tris[1,1-bis(2,4-ditert-butyl-6-methyl-phenyl)ethyl] ester Formula: C96H147O3P MolecularWeight: 1380.166341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C)OP(OC(C)(C3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C)C4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C)OC(C)(C5=C(C=C(C=C5C(C)(C)C)C(C)(C)C)C)C6=C(C=C(C=C6C(C)(C)C)C(C)(C)C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C)OP(OC(C)(C3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C)C4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C)OC(C)(C5=C(C=C(C=C5C(C)(C)C)C(C)(C)C)C)C6=C(C=C(C=C6C(C)(C)C)C(C)(C)C)C

InChI

InChI=1S/C96H147O3P/c1-58-46-64(82(7,8)9)52-70(88(25,26)27)76(58)94(43,77-59(2)47-65(83(10,11)12)53-71(77)89(28,29)30)97-100(98-95(44,78-60(3)48-66(84(13,14)15)54-72(78)90(31,32)33)79-61(4)49-67(85(16,17)18)55-73(79)91(34,35)36)99-96(45,80-62(5)50-68(86(19,20)21)56-74(80)92(37,38)39)81-63(6)51-69(87(22,23)24)57-75(81)93(40,41)42/h46-57H,1-45H3