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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H24O5S MolecularWeight: 376.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24O5S/c1-26(23,24)17-5-3-2-4-16(17)19(22)25-12-18(21)20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,13-15H,6-12H2,1H3