2-methylsulfonyl-1-[(2-methylsulfonyl-4-nitro-phenyl)methylsulfanylmethyl]-4-nitro-benzene

Systemtic Name: 2-methylsulfonyl-1-[(2-methylsulfonyl-4-nitro-phenyl)methylsulfanylmethyl]-4-nitro-benzene Openeye Name: 2-methylsulfonyl-1-[(2-methylsulfonyl-4-nitro-phenyl)methylsulfanylmethyl]-4-nitro-benzene CAS Name: 2-methylsulfonyl-1-[[(2-methylsulfonyl-4-nitrophenyl)methylthio]methyl]-4-nitrobenzene IUPAC Name: 2-methylsulfonyl-1-[(2-methylsulfonyl-4-nitrophenyl)methylsulfanylmethyl]-4-nitrobenzene Traditional Name: 2-mesyl-1-[[(2-mesyl-4-nitro-benzyl)thio]methyl]-4-nitro-benzene Formula: C16H16N2O8S3 MolecularWeight: 460.50184

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CSCC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])CSCC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C16H16N2O8S3/c1-28(23,24)15-7-13(17(19)20)5-3-11(15)9-27-10-12-4-6-14(18(21)22)8-16(12)29(2,25)26/h3-8H,9-10H2,1-2H3