methyl 4-chloranyl-3-methylsulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-3-methylsulfonyl-benzoate Openeye Name: methyl 4-chloro-3-methylsulfonyl-benzoate CAS Name: 4-chloro-3-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-methylsulfonylbenzoate Traditional Name: 4-chloro-3-mesyl-benzoic acid methyl ester Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)C

InChI

InChI=1S/C9H9ClO4S/c1-14-9(11)6-3-4-7(10)8(5-6)15(2,12)13/h3-5H,1-2H3