4-(3-azanyl-2-fluoranyl-4-nitro-phenyl)sulfanylbenzoic acid

Systemtic Name: 4-(3-azanyl-2-fluoranyl-4-nitro-phenyl)sulfanylbenzoic acid Openeye Name: 4-(3-amino-2-fluoro-4-nitro-phenyl)sulfanylbenzoic acid CAS Name: 4-[(3-amino-2-fluoro-4-nitrophenyl)thio]benzoic acid IUPAC Name: 4-(3-amino-2-fluoro-4-nitrophenyl)sulfanylbenzoic acid Traditional Name: 4-[(3-amino-2-fluoro-4-nitro-phenyl)thio]benzoic acid Formula: C13H9FN2O4S MolecularWeight: 308.284963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=C(C(=C(C=C2)[N+](=O)[O-])N)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=C(C(=C(C=C2)[N+](=O)[O-])N)F

InChI

InChI=1S/C13H9FN2O4S/c14-11-10(6-5-9(12(11)15)16(19)20)21-8-3-1-7(2-4-8)13(17)18/h1-6H,15H2,(H,17,18)