sodium 2-[(4-azido-2-nitro-phenyl)amino]ethanesulfonate

Systemtic Name: sodium 2-[(4-azido-2-nitro-phenyl)amino]ethanesulfonate Openeye Name: sodium 2-(4-azido-2-nitro-anilino)ethanesulfonate CAS Name: sodium 2-(4-azido-2-nitroanilino)ethanesulfonate IUPAC Name: sodium 2-(4-azido-2-nitroanilino)ethanesulfonate Traditional Name: sodium 2-(4-azido-2-nitro-anilino)ethanesulfonate Formula: C8H8N5NaO5S MolecularWeight: 309.23439

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C8H9N5O5S.Na/c9-12-11-6-1-2-7(8(5-6)13(14)15)10-3-4-19(16,17)18;/h1-2,5,10H,3-4H2,(H,16,17,18);/q;+1/p-1