sodium 2-[(2,4-dinitrophenyl)amino]ethanesulfonate

Systemtic Name: sodium 2-[(2,4-dinitrophenyl)amino]ethanesulfonate Openeye Name: sodium 2-(2,4-dinitroanilino)ethanesulfonate CAS Name: sodium 2-(2,4-dinitroanilino)ethanesulfonate IUPAC Name: sodium 2-(2,4-dinitroanilino)ethanesulfonate Traditional Name: sodium 2-(2,4-dinitroanilino)ethanesulfonate Formula: C8H8N3NaO7S MolecularWeight: 313.21979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O7S.Na/c12-10(13)6-1-2-7(8(5-6)11(14)15)9-3-4-19(16,17)18;/h1-2,5,9H,3-4H2,(H,16,17,18);/q;+1/p-1