6-ethyloctan-3-yl adamantane-1-carboxylate

Systemtic Name: 6-ethyloctan-3-yl adamantane-1-carboxylate Openeye Name: 1,4-diethylhexyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid 6-ethyloctan-3-yl ester IUPAC Name: 6-ethyloctan-3-yl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 1,4-diethylhexyl ester Formula: C21H36O2 MolecularWeight: 320.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CCC(CC)OC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCC(CC)CCC(CC)OC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H36O2/c1-4-15(5-2)7-8-19(6-3)23-20(22)21-12-16-9-17(13-21)11-18(10-16)14-21/h15-19H,4-14H2,1-3H3