2,2-bis[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]octanedioic acid

Systemtic Name: 2,2-bis[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)ethyl]octanedioic acid Openeye Name: 2,2-bis[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]octanedioic acid CAS Name: 2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]octanedioic acid IUPAC Name: 2,2-bis[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]octanedioic acid Traditional Name: 2,2-bis[2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethyl]suberic acid Formula: C40H62O6 MolecularWeight: 638.91668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCCCCC(=O)O)(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(CCCCCC(=O)O)(CCC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O

InChI

InChI=1S/C40H62O6/c1-36(2,3)28-22-26(23-29(33(28)43)37(4,5)6)17-20-40(35(45)46,19-15-13-14-16-32(41)42)21-18-27-24-30(38(7,8)9)34(44)31(25-27)39(10,11)12/h22-25,43-44H,13-21H2,1-12H3,(H,41,42)(H,45,46)