3-(2-hydroxyethylamino)-2-nitro-6-[(4-nitrophenyl)amino]benzenesulfonic acid

Systemtic Name: 3-(2-hydroxyethylamino)-2-nitro-6-[(4-nitrophenyl)amino]benzenesulfonic acid Openeye Name: 3-(2-hydroxyethylamino)-2-nitro-6-(4-nitroanilino)benzenesulfonic acid CAS Name: 3-(2-hydroxyethylamino)-2-nitro-6-(4-nitroanilino)benzenesulfonic acid IUPAC Name: 3-(2-hydroxyethylamino)-2-nitro-6-(4-nitroanilino)benzenesulfonic acid Traditional Name: 3-(2-hydroxyethylamino)-2-nitro-6-(4-nitroanilino)besylic acid Formula: C14H14N4O8S MolecularWeight: 398.34796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C(=C(C=C2)NCCO)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C(=C(C=C2)NCCO)[N+](=O)[O-])S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O8S/c19-8-7-15-11-5-6-12(14(27(24,25)26)13(11)18(22)23)16-9-1-3-10(4-2-9)17(20)21/h1-6,15-16,19H,7-8H2,(H,24,25,26)