2,9-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]decanedioic acid

Systemtic Name: 2,9-bis[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]decanedioic acid Openeye Name: 2,9-bis[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]decanedioic acid CAS Name: 2,9-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]decanedioic acid IUPAC Name: 2,9-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]decanedioic acid Traditional Name: 2,9-bis(3,5-ditert-butyl-4-hydroxy-benzyl)sebacic 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)CC(CCCCCCC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(CCCCCCC(CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O)C(=O)O

InChI

InChI=1S/C40H62O6/c1-37(2,3)29-21-25(22-30(33(29)41)38(4,5)6)19-27(35(43)44)17-15-13-14-16-18-28(36(45)46)20-26-23-31(39(7,8)9)34(42)32(24-26)40(10,11)12/h21-24,27-28,41-42H,13-20H2,1-12H3,(H,43,44)(H,45,46)