5,5-bis[(3,5-dioctyl-4-oxidanyl-phenyl)methyl]nonane-4,6-dione

Systemtic Name: 5,5-bis[(3,5-dioctyl-4-oxidanyl-phenyl)methyl]nonane-4,6-dione Openeye Name: 5,5-bis[(4-hydroxy-3,5-dioctyl-phenyl)methyl]nonane-4,6-dione CAS Name: 5,5-bis[(4-hydroxy-3,5-dioctylphenyl)methyl]nonane-4,6-dione IUPAC Name: 5,5-bis[(4-hydroxy-3,5-dioctylphenyl)methyl]nonane-4,6-dione Traditional Name: 5,5-bis(4-hydroxy-3,5-dioctyl-benzyl)nonane-4,6-dione Formula: C55H92O4 MolecularWeight: 817.31658

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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)CCC)C(=O)CCC

Isomeric SMILES

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

InChI

InChI=1S/C55H92O4/c1-7-13-17-21-25-29-35-47-39-45(40-48(53(47)58)36-30-26-22-18-14-8-2)43-55(51(56)33-11-5,52(57)34-12-6)44-46-41-49(37-31-27-23-19-15-9-3)54(59)50(42-46)38-32-28-24-20-16-10-4/h39-42,58-59H,7-38,43-44H2,1-6H3