4-[2-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]oxyethoxy]-2,3-dimethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3-(1-adamantyl)-3-oxidanylidene-propanoyl]oxyethoxy]-2,3-dimethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-(1-adamantyl)-3-oxo-propanoyl]oxyethoxy]-2,3-dimethyl-4-oxo-butanoic acid CAS Name: 4-[2-[3-(1-adamantyl)-1,3-dioxopropoxy]ethoxy]-2,3-dimethyl-4-oxobutanoic acid IUPAC Name: 4-[2-[3-(1-adamantyl)-3-oxopropanoyl]oxyethoxy]-2,3-dimethyl-4-oxobutanoic acid Traditional Name: 4-[2-[3-(1-adamantyl)-3-keto-propanoyl]oxyethoxy]-4-keto-2,3-dimethyl-butyric acid Formula: C21H30O7 MolecularWeight: 394.4587

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)OCCOC(=O)CC(=O)C12CC3CC(C1)CC(C3)C2)C(=O)O

Isomeric SMILES

CC(C(C)C(=O)OCCOC(=O)CC(=O)C12CC3CC(C1)CC(C3)C2)C(=O)O

InChI

InChI=1S/C21H30O7/c1-12(19(24)25)13(2)20(26)28-4-3-27-18(23)8-17(22)21-9-14-5-15(10-21)7-16(6-14)11-21/h12-16H,3-11H2,1-2H3,(H,24,25)