1-(4-hexylsulfanyl-3-nitro-phenyl)ethanone

Systemtic Name: 1-(4-hexylsulfanyl-3-nitro-phenyl)ethanone Openeye Name: 1-(4-hexylsulfanyl-3-nitro-phenyl)ethanone CAS Name: 1-[4-(hexylthio)-3-nitrophenyl]ethanone IUPAC Name: 1-(4-hexylsulfanyl-3-nitrophenyl)ethanone Traditional Name: 1-[4-(hexylthio)-3-nitro-phenyl]ethanone Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCSC1=C(C=C(C=C1)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-3-4-5-6-9-19-14-8-7-12(11(2)16)10-13(14)15(17)18/h7-8,10H,3-6,9H2,1-2H3