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

Systemtic Name: 4-methylsulfanylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Openeye Name: 4-methylsulfanylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one CAS Name: 4-(methylthio)-3-pyrrolidinethiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one IUPAC Name: 4-methylsulfanylpyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Traditional Name: 4-(methylthio)pyrrolidine-3-thiol; 2-nitro-3-oxabicyclo[3.2.2]nona-1(7),5,8-trien-4-one Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CNCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

Isomeric SMILES

CSC1CNCC1S.C1=CC2=CC=C1C(OC2=O)[N+](=O)[O-]

InChI

InChI=1S/C8H5NO4.C5H11NS2/c10-8-6-3-1-5(2-4-6)7(13-8)9(11)12;1-8-5-3-6-2-4(5)7/h1-4,7H;4-7H,2-3H2,1H3