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

Systemtic Name: 1-[4-[3-(4-ethanoyl-2-nitro-phenyl)sulfanylpropylsulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[3-(4-acetyl-2-nitro-phenyl)sulfanylpropylsulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[3-[(4-acetyl-2-nitrophenyl)thio]propylthio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[3-(4-acetyl-2-nitrophenyl)sulfanylpropylsulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[3-[(4-acetyl-2-nitro-phenyl)thio]propylthio]-3-nitro-phenyl]ethanone Formula: C19H18N2O6S2 MolecularWeight: 434.48602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O6S2/c1-12(22)14-4-6-18(16(10-14)20(24)25)28-8-3-9-29-19-7-5-15(13(2)23)11-17(19)21(26)27/h4-7,10-11H,3,8-9H2,1-2H3