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

Systemtic Name: 4-[(3-tert-butyl-5-heptyl-4-oxidanyl-phenyl)methyl]-2,6-dimethyl-heptane-3,5-dione Openeye Name: 4-[(3-tert-butyl-5-heptyl-4-hydroxy-phenyl)methyl]-2,6-dimethyl-heptane-3,5-dione CAS Name: 4-[(3-tert-butyl-5-heptyl-4-hydroxyphenyl)methyl]-2,6-dimethylheptane-3,5-dione IUPAC Name: 4-[(3-tert-butyl-5-heptyl-4-hydroxyphenyl)methyl]-2,6-dimethylheptane-3,5-dione Traditional Name: 4-(3-tert-butyl-5-heptyl-4-hydroxy-benzyl)-2,6-dimethyl-heptane-3,5-dione Formula: C27H44O3 MolecularWeight: 416.63646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=CC(=C1)CC(C(=O)C(C)C)C(=O)C(C)C)C(C)(C)C)O

Isomeric SMILES

CCCCCCCC1=C(C(=CC(=C1)CC(C(=O)C(C)C)C(=O)C(C)C)C(C)(C)C)O

InChI

InChI=1S/C27H44O3/c1-9-10-11-12-13-14-21-15-20(17-23(26(21)30)27(6,7)8)16-22(24(28)18(2)3)25(29)19(4)5/h15,17-19,22,30H,9-14,16H2,1-8H3