(2-methylsulfonyl-4-nitro-phenyl)methanethiol

Systemtic Name: (2-methylsulfonyl-4-nitro-phenyl)methanethiol Openeye Name: (2-methylsulfonyl-4-nitro-phenyl)methanethiol CAS Name: (2-methylsulfonyl-4-nitrophenyl)methanethiol IUPAC Name: (2-methylsulfonyl-4-nitrophenyl)methanethiol Traditional Name: (2-mesyl-4-nitro-phenyl)methanethiol Formula: C8H9NO4S2 MolecularWeight: 247.29136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9NO4S2/c1-15(12,13)8-4-7(9(10)11)3-2-6(8)5-14/h2-4,14H,5H2,1H3