sodium 3-carboxy-5-nitro-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 3-carboxy-5-nitro-4-oxidanyl-benzenesulfonate Openeye Name: sodium 3-carboxy-4-hydroxy-5-nitro-benzenesulfonate CAS Name: sodium 3-carboxy-4-hydroxy-5-nitrobenzenesulfonate IUPAC Name: sodium 3-carboxy-4-hydroxy-5-nitrobenzenesulfonate Traditional Name: sodium 3-carboxy-4-hydroxy-5-nitro-besylate Formula: C7H4NNaO8S MolecularWeight: 285.16333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H5NO8S.Na/c9-6-4(7(10)11)1-3(17(14,15)16)2-5(6)8(12)13;/h1-2,9H,(H,10,11)(H,14,15,16);/q;+1/p-1