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

Systemtic Name: 1-[4-[2-(4-ethanoyl-2-nitro-phenyl)sulfanylethylsulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[2-(4-acetyl-2-nitro-phenyl)sulfanylethylsulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[2-[(4-acetyl-2-nitrophenyl)thio]ethylthio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[2-(4-acetyl-2-nitrophenyl)sulfanylethylsulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[2-[(4-acetyl-2-nitro-phenyl)thio]ethylthio]-3-nitro-phenyl]ethanone Formula: C18H16N2O6S2 MolecularWeight: 420.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O6S2/c1-11(21)13-3-5-17(15(9-13)19(23)24)27-7-8-28-18-6-4-14(12(2)22)10-16(18)20(25)26/h3-6,9-10H,7-8H2,1-2H3