1-[4-(furan-2-ylmethylsulfanyl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(furan-2-ylmethylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(2-furylmethylsulfanyl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(2-furanylmethylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(2-furfurylthio)-3-nitro-phenyl]ethanone Formula: C13H11NO4S MolecularWeight: 277.29574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCC2=CC=CO2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCC2=CC=CO2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO4S/c1-9(15)10-4-5-13(12(7-10)14(16)17)19-8-11-3-2-6-18-11/h2-7H,8H2,1H3