4-(furan-2-ylmethylsulfanyl)-3-nitro-benzoate

Systemtic Name: 4-(furan-2-ylmethylsulfanyl)-3-nitro-benzoate Openeye Name: 4-(2-furylmethylsulfanyl)-3-nitro-benzoate CAS Name: 4-(2-furanylmethylthio)-3-nitrobenzoate IUPAC Name: 4-(furan-2-ylmethylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(2-furfurylthio)-3-nitro-benzoate Formula: C12H8NO5S- MolecularWeight: 278.26062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO5S/c14-12(15)8-3-4-11(10(6-8)13(16)17)19-7-9-2-1-5-18-9/h1-6H,7H2,(H,14,15)/p-1