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

Systemtic Name: bis[1,5-bis(3,5-ditert-butyl-4-oxidanyl-phenyl)-2,3-dimethyl-pentan-3-yl] butanedioate Openeye Name: bis[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]-1,2-dimethyl-propyl] butanedioate CAS Name: butanedioic acid bis[1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,3-dimethylpentan-3-yl] ester IUPAC Name: bis[1,5-bis(3,5-ditert-butyl-4-hydroxyphenyl)-2,3-dimethylpentan-3-yl] butanedioate Traditional Name: succinic acid bis[3-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]-1,2-dimethyl-propyl] ester Formula: C74H114O8 MolecularWeight: 1131.69216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(C)(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)CCC(=O)OC(C)(CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(C)(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC(=O)CCC(=O)OC(C)(CCC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(C)CC4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C74H114O8/c1-45(35-49-41-55(69(15,16)17)63(79)56(42-49)70(18,19)20)73(27,33-31-47-37-51(65(3,4)5)61(77)52(38-47)66(6,7)8)81-59(75)29-30-60(76)82-74(28,34-32-48-39-53(67(9,10)11)62(78)54(40-48)68(12,13)14)46(2)36-50-43-57(71(21,22)23)64(80)58(44-50)72(24,25)26/h37-46,77-80H,29-36H2,1-28H3