[2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-acetyloxybenzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 4-acetyloxybenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 4-acetoxybenzoate CAS Name: 4-acetyloxybenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 4-acetyloxybenzoate Traditional Name: 4-acetoxybenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H24O5/c1-13(22)26-18-4-2-17(3-5-18)20(24)25-12-19(23)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3