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

Systemtic Name: sodium 2-[(4-azido-2-nitro-phenyl)amino]ethanesulfonate dihydrate Openeye Name: sodium 2-(4-azido-2-nitro-anilino)ethanesulfonate dihydrate CAS Name: sodium 2-(4-azido-2-nitroanilino)ethanesulfonate dihydrate IUPAC Name: sodium 2-(4-azido-2-nitroanilino)ethanesulfonate dihydrate Traditional Name: sodium 2-(4-azido-2-nitro-anilino)ethanesulfonate dihydrate Formula: C8H12N5NaO7S MolecularWeight: 345.26495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N5O5S.Na.2H2O/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);;2*1H2/q;+1;;/p-1