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

Systemtic Name: 1-[4-[4-(4-ethanoyl-2-nitro-phenyl)sulfanylbutylsulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(4-acetyl-2-nitro-phenyl)sulfanylbutylsulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(4-acetyl-2-nitrophenyl)thio]butylthio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-(4-acetyl-2-nitrophenyl)sulfanylbutylsulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-[(4-acetyl-2-nitro-phenyl)thio]butylthio]-3-nitro-phenyl]ethanone Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCCCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCCCCSC2=C(C=C(C=C2)C(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S2/c1-13(23)15-5-7-19(17(11-15)21(25)26)29-9-3-4-10-30-20-8-6-16(14(2)24)12-18(20)22(27)28/h5-8,11-12H,3-4,9-10H2,1-2H3