3,3-bis[(3,5-dioctyl-4-oxidanyl-phenyl)methyl]undecane-2,4-dione

Systemtic Name: 3,3-bis[(3,5-dioctyl-4-oxidanyl-phenyl)methyl]undecane-2,4-dione Openeye Name: 3,3-bis[(4-hydroxy-3,5-dioctyl-phenyl)methyl]undecane-2,4-dione CAS Name: 3,3-bis[(4-hydroxy-3,5-dioctylphenyl)methyl]undecane-2,4-dione IUPAC Name: 3,3-bis[(4-hydroxy-3,5-dioctylphenyl)methyl]undecane-2,4-dione Traditional Name: 3,3-bis(4-hydroxy-3,5-dioctyl-benzyl)undecane-2,4-dione Formula: C57H96O4 MolecularWeight: 845.36974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1O)CCCCCCCC)CC(CC2=CC(=C(C(=C2)CCCCCCCC)O)CCCCCCCC)(C(=O)C)C(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=C1O)CCCCCCCC)CC(CC2=CC(=C(C(=C2)CCCCCCCC)O)CCCCCCCC)(C(=O)C)C(=O)CCCCCCC

InChI

InChI=1S/C57H96O4/c1-7-12-17-22-27-31-36-50-41-48(42-51(55(50)60)37-32-28-23-18-13-8-2)45-57(47(6)58,54(59)40-35-26-21-16-11-5)46-49-43-52(38-33-29-24-19-14-9-3)56(61)53(44-49)39-34-30-25-20-15-10-4/h41-44,60-61H,7-40,45-46H2,1-6H3