4-methylsulfinylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one

Systemtic Name: 4-methylsulfinylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: 4-methylsulfinylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 4-methylsulfinyl-3-pyrrolidinethiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: 4-methylsulfinylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 4-methylsulfinylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C13H16N2O5S2 MolecularWeight: 344.40654

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1CNCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)C1CNCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C5H11NOS2/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;1-9(7)5-3-6-2-4(5)8/h1-4,7H;4-6,8H,2-3H2,1H3