methyl 4-methylsulfonyl-2-nitro-benzoate

Systemtic Name: methyl 4-methylsulfonyl-2-nitro-benzoate Openeye Name: methyl 4-methylsulfonyl-2-nitro-benzoate CAS Name: 4-methylsulfonyl-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-methylsulfonyl-2-nitrobenzoate Traditional Name: 4-mesyl-2-nitro-benzoic acid methyl ester Formula: C9H9NO6S MolecularWeight: 259.23586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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