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

Systemtic Name: sodium 2-[(4-azido-2-nitro-phenyl)amino]ethanesulfonate hydrate Openeye Name: sodium 2-(4-azido-2-nitro-anilino)ethanesulfonate hydrate CAS Name: sodium 2-(4-azido-2-nitroanilino)ethanesulfonate hydrate IUPAC Name: sodium 2-(4-azido-2-nitroanilino)ethanesulfonate hydrate Traditional Name: sodium 2-(4-azido-2-nitro-anilino)ethanesulfonate hydrate Formula: C8H10N5NaO6S MolecularWeight: 327.24967

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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.[Na+]

Isomeric SMILES

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

InChI

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