2-azanyl-4-[(5-fluoranyl-2,4-dinitro-phenyl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[(5-fluoranyl-2,4-dinitro-phenyl)amino]benzenesulfonic acid Openeye Name: 2-amino-4-(5-fluoro-2,4-dinitro-anilino)benzenesulfonic acid CAS Name: 2-amino-4-(5-fluoro-2,4-dinitroanilino)benzenesulfonic acid IUPAC Name: 2-amino-4-(5-fluoro-2,4-dinitroanilino)benzenesulfonic acid Traditional Name: 2-amino-4-(5-fluoro-2,4-dinitro-anilino)besylic acid Formula: C12H9FN4O7S MolecularWeight: 372.285863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9FN4O7S/c13-7-4-9(11(17(20)21)5-10(7)16(18)19)15-6-1-2-12(8(14)3-6)25(22,23)24/h1-5,15H,14H2,(H,22,23,24)