methyl 4-chloranyl-2,3-dimethyl-5-methylsulfonyl-benzoate

Systemtic Name: methyl 4-chloranyl-2,3-dimethyl-5-methylsulfonyl-benzoate Openeye Name: methyl 4-chloro-2,3-dimethyl-5-methylsulfonyl-benzoate CAS Name: 4-chloro-2,3-dimethyl-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 4-chloro-2,3-dimethyl-5-methylsulfonylbenzoate Traditional Name: 4-chloro-5-mesyl-2,3-dimethyl-benzoic acid methyl ester Formula: C11H13ClO4S MolecularWeight: 276.73652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)OC)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C11H13ClO4S/c1-6-7(2)10(12)9(17(4,14)15)5-8(6)11(13)16-3/h5H,1-4H3