2-[(2,4-dinitrophenyl)amino]ethanesulfonic acid

Systemtic Name: 2-[(2,4-dinitrophenyl)amino]ethanesulfonic acid Openeye Name: 2-(2,4-dinitroanilino)ethanesulfonic acid CAS Name: 2-(2,4-dinitroanilino)ethanesulfonic acid IUPAC Name: 2-(2,4-dinitroanilino)ethanesulfonic acid Traditional Name: 2-(2,4-dinitroanilino)ethanesulfonic acid Formula: C8H9N3O7S MolecularWeight: 291.23796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9N3O7S/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)