4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-benzoate

Systemtic Name: 4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-benzoate Openeye Name: 4-[(3-fluorophenyl)methylsulfanyl]-3-nitro-benzoate CAS Name: 4-[(3-fluorophenyl)methylthio]-3-nitrobenzoate IUPAC Name: 4-[(3-fluorophenyl)methylsulfanyl]-3-nitrobenzoate Traditional Name: 4-[(3-fluorobenzyl)thio]-3-nitro-benzoate Formula: C14H9FNO4S- MolecularWeight: 306.288963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10FNO4S/c15-11-3-1-2-9(6-11)8-21-13-5-4-10(14(17)18)7-12(13)16(19)20/h1-7H,8H2,(H,17,18)/p-1