[2-(1-adamantyl)-2-oxidanylidene-ethyl] benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] benzoate CAS Name: benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] benzoate Traditional Name: benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C19H22O3 MolecularWeight: 298.37618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H22O3/c20-17(12-22-18(21)16-4-2-1-3-5-16)19-9-13-6-14(10-19)8-15(7-13)11-19/h1-5,13-15H,6-12H2