1-(4-methylsulfonylphenyl)-2-nitro-propane-1,3-diol

Systemtic Name: 1-(4-methylsulfonylphenyl)-2-nitro-propane-1,3-diol Openeye Name: 1-(4-methylsulfonylphenyl)-2-nitro-propane-1,3-diol CAS Name: 1-(4-methylsulfonylphenyl)-2-nitropropane-1,3-diol IUPAC Name: 1-(4-methylsulfonylphenyl)-2-nitropropane-1,3-diol Traditional Name: 1-(4-mesylphenyl)-2-nitro-propane-1,3-diol Formula: C10H13NO6S MolecularWeight: 275.27832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO6S/c1-18(16,17)8-4-2-7(3-5-8)10(13)9(6-12)11(14)15/h2-5,9-10,12-13H,6H2,1H3