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

Systemtic Name: 1-[4-(2-butylsulfanylethylsulfanyl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(2-butylsulfanylethylsulfanyl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-(butylthio)ethylthio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(2-butylsulfanylethylsulfanyl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-(butylthio)ethylthio]-3-nitro-phenyl]ethanone Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCSCCSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19NO3S2/c1-3-4-7-19-8-9-20-14-6-5-12(11(2)16)10-13(14)15(17)18/h5-6,10H,3-4,7-9H2,1-2H3