methyl 3-methylsulfonyl-5-nitro-benzoate

Systemtic Name: methyl 3-methylsulfonyl-5-nitro-benzoate Openeye Name: methyl 3-methylsulfonyl-5-nitro-benzoate CAS Name: 3-methylsulfonyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-5-nitrobenzoate Traditional Name: 3-mesyl-5-nitro-benzoic acid methyl ester Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6S/c1-16-9(11)6-3-7(10(12)13)5-8(4-6)17(2,14)15/h3-5H,1-2H3