methyl 2-bromanyl-4-cyclopentyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 2-bromanyl-4-cyclopentyl-5-methylsulfonyl-benzoate Openeye Name: methyl 2-bromo-4-cyclopentyl-5-methylsulfonyl-benzoate CAS Name: 2-bromo-4-cyclopentyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-bromo-4-cyclopentyl-5-methylsulfonylbenzoate Traditional Name: 2-bromo-4-cyclopentyl-5-mesyl-benzoic acid methyl ester Formula: C14H17BrO4S MolecularWeight: 361.25138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1Br)C2CCCC2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1Br)C2CCCC2)S(=O)(=O)C

InChI

InChI=1S/C14H17BrO4S/c1-19-14(16)11-8-13(20(2,17)18)10(7-12(11)15)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3