4-ethanoyl-6-ethyl-2,2,4,6-tetramethyl-8-[(2-methyl-2-adamantyl)oxy]-8-oxidanylidene-octanoic acid

Systemtic Name: 4-ethanoyl-6-ethyl-2,2,4,6-tetramethyl-8-[(2-methyl-2-adamantyl)oxy]-8-oxidanylidene-octanoic acid Openeye Name: 4-acetyl-6-ethyl-2,2,4,6-tetramethyl-8-[(2-methyl-2-adamantyl)oxy]-8-oxo-octanoic acid CAS Name: 4-acetyl-6-ethyl-2,2,4,6-tetramethyl-8-[(2-methyl-2-adamantyl)oxy]-8-oxooctanoic acid IUPAC Name: 4-acetyl-6-ethyl-2,2,4,6-tetramethyl-8-[(2-methyl-2-adamantyl)oxy]-8-oxooctanoic acid Traditional Name: 4-acetyl-6-ethyl-8-keto-2,2,4,6-tetramethyl-8-[(2-methyl-2-adamantyl)oxy]caprylic acid Formula: C27H44O5 MolecularWeight: 448.63526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(=O)OC1(C2CC3CC(C2)CC1C3)C)CC(C)(CC(C)(C)C(=O)O)C(=O)C

Isomeric SMILES

CCC(C)(CC(=O)OC1(C2CC3CC(C2)CC1C3)C)CC(C)(CC(C)(C)C(=O)O)C(=O)C

InChI

InChI=1S/C27H44O5/c1-8-25(5,16-26(6,17(2)28)15-24(3,4)23(30)31)14-22(29)32-27(7)20-10-18-9-19(12-20)13-21(27)11-18/h18-21H,8-16H2,1-7H3,(H,30,31)