3-[2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]oxyadamantane-1-carboxylic acid

Systemtic Name: 3-[2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-butanoyl]oxyadamantane-1-carboxylic acid Openeye Name: 3-(4-tert-butoxy-2,3-dimethyl-4-oxo-butanoyl)oxyadamantane-1-carboxylic acid CAS Name: 3-[2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-1,4-dioxobutoxy]-1-adamantanecarboxylic acid IUPAC Name: 3-[2,3-dimethyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]oxyadamantane-1-carboxylic acid Traditional Name: 3-(4-tert-butoxy-4-keto-2,3-dimethyl-butanoyl)oxyadamantane-1-carboxylic acid Formula: C21H32O6 MolecularWeight: 380.47518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)O

Isomeric SMILES

CC(C(C)C(=O)OC(C)(C)C)C(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)O

InChI

InChI=1S/C21H32O6/c1-12(16(22)26-19(3,4)5)13(2)17(23)27-21-9-14-6-15(10-21)8-20(7-14,11-21)18(24)25/h12-15H,6-11H2,1-5H3,(H,24,25)