2-methylsulfonyl-4-nitro-1-phenylsulfanyl-benzene

Systemtic Name: 2-methylsulfonyl-4-nitro-1-phenylsulfanyl-benzene Openeye Name: 2-methylsulfonyl-4-nitro-1-phenylsulfanyl-benzene CAS Name: 2-methylsulfonyl-4-nitro-1-(phenylthio)benzene IUPAC Name: 2-methylsulfonyl-4-nitro-1-phenylsulfanylbenzene Traditional Name: 2-mesyl-4-nitro-1-(phenylthio)benzene Formula: C13H11NO4S2 MolecularWeight: 309.36074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=C2

InChI

InChI=1S/C13H11NO4S2/c1-20(17,18)13-9-10(14(15)16)7-8-12(13)19-11-5-3-2-4-6-11/h2-9H,1H3