bis[2-tert-butyl-6-[(3-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenyl] benzene-1,4-dicarboxylate

Systemtic Name: bis[2-tert-butyl-6-[(3-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-4-methyl-phenyl] benzene-1,4-dicarboxylate Openeye Name: bis[2-tert-butyl-6-[(3-butyl-2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid bis[2-tert-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] ester IUPAC Name: bis[2-tert-butyl-6-[(3-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid bis[2-tert-butyl-6-(3-butyl-2-hydroxy-5-methyl-benzyl)-4-methyl-phenyl] ester Formula: C54H66O6 MolecularWeight: 811.09824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C)CC5=C(C(=CC(=C5)C)CCCC)O)C

Isomeric SMILES

CCCCC1=CC(=CC(=C1O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4C(C)(C)C)C)CC5=C(C(=CC(=C5)C)CCCC)O)C

InChI

InChI=1S/C54H66O6/c1-13-15-17-39-23-33(3)25-41(47(39)55)31-43-27-35(5)29-45(53(7,8)9)49(43)59-51(57)37-19-21-38(22-20-37)52(58)60-50-44(28-36(6)30-46(50)54(10,11)12)32-42-26-34(4)24-40(48(42)56)18-16-14-2/h19-30,55-56H,13-18,31-32H2,1-12H3