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

Systemtic Name: bis[1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)pentan-3-yl] hexanedioate Openeye Name: bis[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] hexanedioate CAS Name: hexanedioic 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] hexanedioate Traditional Name: adipic acid bis[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]propyl] ester Formula: C72H110O8 MolecularWeight: 1103.639

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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)CCCCC(=O)OC(CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CCC4=CC(=C(C(=C4)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)CCCCC(=O)OC(CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)CCC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C72H110O8/c1-65(2,3)51-37-45(38-52(61(51)75)66(4,5)6)29-33-49(34-30-46-39-53(67(7,8)9)62(76)54(40-46)68(10,11)12)79-59(73)27-25-26-28-60(74)80-50(35-31-47-41-55(69(13,14)15)63(77)56(42-47)70(16,17)18)36-32-48-43-57(71(19,20)21)64(78)58(44-48)72(22,23)24/h37-44,49-50,75-78H,25-36H2,1-24H3