3-methoxycarbonyl-5-nitro-benzenesulfonate

Systemtic Name: 3-methoxycarbonyl-5-nitro-benzenesulfonate Openeye Name: 3-methoxycarbonyl-5-nitro-benzenesulfonate CAS Name: 3-methoxycarbonyl-5-nitrobenzenesulfonate IUPAC Name: 3-methoxycarbonyl-5-nitrobenzenesulfonate Traditional Name: 3-carbomethoxy-5-nitro-besylate Formula: C8H6NO7S- MolecularWeight: 260.20074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO7S/c1-16-8(10)5-2-6(9(11)12)4-7(3-5)17(13,14)15/h2-4H,1H3,(H,13,14,15)/p-1