2-[(4-methylsulfonyl-2,6-dinitro-phenyl)amino]ethanoic acid

Systemtic Name: 2-[(4-methylsulfonyl-2,6-dinitro-phenyl)amino]ethanoic acid Openeye Name: 2-(4-methylsulfonyl-2,6-dinitro-anilino)acetic acid CAS Name: 2-(4-methylsulfonyl-2,6-dinitroanilino)acetic acid IUPAC Name: 2-(4-methylsulfonyl-2,6-dinitroanilino)acetic acid Traditional Name: 2-(4-mesyl-2,6-dinitro-anilino)acetic acid Formula: C9H9N3O8S MolecularWeight: 319.24806

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O8S/c1-21(19,20)5-2-6(11(15)16)9(10-4-8(13)14)7(3-5)12(17)18/h2-3,10H,4H2,1H3,(H,13,14)