[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 2,4-dimethyl-6-oxidanylidene-pyran-3-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 2,4-dimethyl-6-oxo-pyran-3-carboxylate CAS Name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate Traditional Name: 6-keto-2,4-dimethyl-pyran-3-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC(=C1C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=O)OC(=C1C(=O)OC(C)C(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H26O5/c1-11-4-17(22)25-12(2)18(11)20(24)26-13(3)19(23)21-8-14-5-15(9-21)7-16(6-14)10-21/h4,13-16H,5-10H2,1-3H3