methyl 1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: methyl 1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxylate Openeye Name: methyl 1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-(4-methylsulfonylphenyl)-4-bicyclo[2.2.2]octanecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylsulfonylphenyl)bicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-(4-mesylphenyl)bicyclo[2.2.2]octane-4-carboxylic acid methyl ester Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC(CC1)(CC2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C12CCC(CC1)(CC2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C17H22O4S/c1-21-15(18)17-10-7-16(8-11-17,9-12-17)13-3-5-14(6-4-13)22(2,19)20/h3-6H,7-12H2,1-2H3