bis[1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yl] benzene-1,2-dicarboxylate

Systemtic Name: bis[1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yl] benzene-1,2-dicarboxylate Openeye Name: bis[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] benzene-1,2-dicarboxylate CAS Name: benzene-1,2-dicarboxylic acid bis[1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yl] ester IUPAC Name: bis[1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)pentan-3-yl] benzene-1,2-dicarboxylate Traditional Name: benzene-1,2-dicarboxylic acid bis[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] ester Formula: C74H106O8 MolecularWeight: 1123.62864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)C3=CC=CC=C3C(=O)OC(CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)CCC5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)C3=CC=CC=C3C(=O)OC(CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)CCC5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C74H106O8/c1-67(2,3)53-37-45(38-54(61(53)75)68(4,5)6)29-33-49(34-30-46-39-55(69(7,8)9)62(76)56(40-46)70(10,11)12)81-65(79)51-27-25-26-28-52(51)66(80)82-50(35-31-47-41-57(71(13,14)15)63(77)58(42-47)72(16,17)18)36-32-48-43-59(73(19,20)21)64(78)60(44-48)74(22,23)24/h25-28,37-44,49-50,75-78H,29-36H2,1-24H3