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4-methylsulfonyl-3-nitro-benzoate

4-methylsulfonyl-3-nitro-benzoate

Systemtic Name:4-methylsulfonyl-3-nitro-benzoate
Openeye Name:4-methylsulfonyl-3-nitro-benzoate
CAS Name:4-methylsulfonyl-3-nitrobenzoate
IUPAC Name:4-methylsulfonyl-3-nitrobenzoate
Traditional Name:4-mesyl-3-nitro-benzoate
Formula: C8H6NO6S-
MolecularWeight: 244.20134
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)/p-1


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