methyl 4-chloranyl-3-methylsulfonyl-5-nitro-benzoate

Systemtic Name: methyl 4-chloranyl-3-methylsulfonyl-5-nitro-benzoate Openeye Name: methyl 4-chloro-3-methylsulfonyl-5-nitro-benzoate CAS Name: 4-chloro-3-methylsulfonyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-methylsulfonyl-5-nitrobenzoate Traditional Name: 4-chloro-3-mesyl-5-nitro-benzoic acid methyl ester Formula: C9H8ClNO6S MolecularWeight: 293.68092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C(=C1)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H8ClNO6S/c1-17-9(12)5-3-6(11(13)14)8(10)7(4-5)18(2,15)16/h3-4H,1-2H3