methyl 4-chloranyl-2-ethynyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-2-ethynyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-chloro-2-ethynyl-5-methylsulfonyl-benzoate CAS Name: 4-chloro-2-ethynyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-ethynyl-5-methylsulfonylbenzoate Traditional Name: 4-chloro-2-ethynyl-5-mesyl-benzoic acid methyl ester Formula: C11H9ClO4S MolecularWeight: 272.70476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1C#C)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1C#C)Cl)S(=O)(=O)C

InChI

InChI=1S/C11H9ClO4S/c1-4-7-5-9(12)10(17(3,14)15)6-8(7)11(13)16-2/h1,5-6H,2-3H3