[2-azanyl-4-[(5-fluoranyl-2,4-dinitro-phenyl)amino]phenyl] hydrogen sulfate

Systemtic Name: [2-azanyl-4-[(5-fluoranyl-2,4-dinitro-phenyl)amino]phenyl] hydrogen sulfate Openeye Name: [2-amino-4-(5-fluoro-2,4-dinitro-anilino)phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-4-(5-fluoro-2,4-dinitroanilino)phenyl] ester IUPAC Name: [2-amino-4-(5-fluoro-2,4-dinitroanilino)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-amino-4-(5-fluoro-2,4-dinitro-anilino)phenyl] ester Formula: C12H9FN4O8S MolecularWeight: 388.285263

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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)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H9FN4O8S/c13-7-4-9(11(17(20)21)5-10(7)16(18)19)15-6-1-2-12(8(14)3-6)25-26(22,23)24/h1-5,15H,14H2,(H,22,23,24)