1-[4-[6-(4-ethanoyl-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[6-(4-ethanoyl-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[6-(4-acetyl-2-nitro-phenyl)sulfanylhexylsulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[6-[(4-acetyl-2-nitrophenyl)thio]hexylthio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[6-(4-acetyl-2-nitrophenyl)sulfanylhexylsulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[6-[(4-acetyl-2-nitro-phenyl)thio]hexylthio]-3-nitro-phenyl]ethanone Formula: C22H24N2O6S2 MolecularWeight: 476.56576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCCCCCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCCCCCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O6S2/c1-15(25)17-7-9-21(19(13-17)23(27)28)31-11-5-3-4-6-12-32-22-10-8-18(16(2)26)14-20(22)24(29)30/h7-10,13-14H,3-6,11-12H2,1-2H3