sodium 4-(carboxymethyl)-3-nitro-benzenesulfonate

Systemtic Name: sodium 4-(carboxymethyl)-3-nitro-benzenesulfonate Openeye Name: sodium 4-(carboxymethyl)-3-nitro-benzenesulfonate CAS Name: sodium 4-(carboxymethyl)-3-nitrobenzenesulfonate IUPAC Name: sodium 4-(carboxymethyl)-3-nitrobenzenesulfonate Traditional Name: sodium 4-(carboxymethyl)-3-nitro-besylate Formula: C8H6NNaO7S MolecularWeight: 283.19051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])CC(=O)O.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)[O-])[N+](=O)[O-])CC(=O)O.[Na+]

InChI

InChI=1S/C8H7NO7S.Na/c10-8(11)3-5-1-2-6(17(14,15)16)4-7(5)9(12)13;/h1-2,4H,3H2,(H,10,11)(H,14,15,16);/q;+1/p-1