4,4-bis[(3-tert-butyl-5-heptyl-4-oxidanyl-phenyl)methyl]-2,6-dimethyl-heptane-3,5-dione

Systemtic Name: 4,4-bis[(3-tert-butyl-5-heptyl-4-oxidanyl-phenyl)methyl]-2,6-dimethyl-heptane-3,5-dione Openeye Name: 4,4-bis[(3-tert-butyl-5-heptyl-4-hydroxy-phenyl)methyl]-2,6-dimethyl-heptane-3,5-dione CAS Name: 4,4-bis[(3-tert-butyl-5-heptyl-4-hydroxyphenyl)methyl]-2,6-dimethylheptane-3,5-dione IUPAC Name: 4,4-bis[(3-tert-butyl-5-heptyl-4-hydroxyphenyl)methyl]-2,6-dimethylheptane-3,5-dione Traditional Name: 4,4-bis(3-tert-butyl-5-heptyl-4-hydroxy-benzyl)-2,6-dimethyl-heptane-3,5-dione Formula: C45H72O4 MolecularWeight: 677.05078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=CC(=C1)CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)CCCCCCC)(C(=O)C(C)C)C(=O)C(C)C)C(C)(C)C)O

Isomeric SMILES

CCCCCCCC1=C(C(=CC(=C1)CC(CC2=CC(=C(C(=C2)C(C)(C)C)O)CCCCCCC)(C(=O)C(C)C)C(=O)C(C)C)C(C)(C)C)O

InChI

InChI=1S/C45H72O4/c1-13-15-17-19-21-23-35-25-33(27-37(39(35)46)43(7,8)9)29-45(41(48)31(3)4,42(49)32(5)6)30-34-26-36(24-22-20-18-16-14-2)40(47)38(28-34)44(10,11)12/h25-28,31-32,46-47H,13-24,29-30H2,1-12H3