sodium 2-(2-methoxyethylamino)-5-nitro-benzenesulfonate

Systemtic Name: sodium 2-(2-methoxyethylamino)-5-nitro-benzenesulfonate Openeye Name: sodium 2-(2-methoxyethylamino)-5-nitro-benzenesulfonate CAS Name: sodium 2-(2-methoxyethylamino)-5-nitrobenzenesulfonate IUPAC Name: sodium 2-(2-methoxyethylamino)-5-nitrobenzenesulfonate Traditional Name: sodium 2-(2-methoxyethylamino)-5-nitro-besylate Formula: C9H11N2NaO6S MolecularWeight: 298.24821

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H12N2O6S.Na/c1-17-5-4-10-8-3-2-7(11(12)13)6-9(8)18(14,15)16;/h2-3,6,10H,4-5H2,1H3,(H,14,15,16);/q;+1/p-1