4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-nitro-benzoate

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-nitro-benzoate Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-nitro-benzoate CAS Name: 4-[(2-chloro-6-fluorophenyl)methylthio]-3-nitrobenzoate IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-nitrobenzoate Traditional Name: 4-[(2-chloro-6-fluoro-benzyl)thio]-3-nitro-benzoate Formula: C14H8ClFNO4S- MolecularWeight: 340.734023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=C(C=C(C=C2)C(=O)[O-])[N+](=O)[O-])F

InChI

InChI=1S/C14H9ClFNO4S/c15-10-2-1-3-11(16)9(10)7-22-13-5-4-8(14(18)19)6-12(13)17(20)21/h1-6H,7H2,(H,18,19)/p-1