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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-ethylsulfonylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C21H26O5S MolecularWeight: 390.49314

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26O5S/c1-2-27(24,25)18-6-4-3-5-17(18)20(23)26-13-19(22)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,2,7-13H2,1H3