(6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrrolidine-1-carbodithioate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrrolidine-1-carbodithioate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C14H16N2O4S2 MolecularWeight: 340.41784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

C1CCN(C1)C(=S)SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C14H16N2O4S2/c17-16(18)12-5-10-7-19-9-20-13(10)11(6-12)8-22-14(21)15-3-1-2-4-15/h5-6H,1-4,7-9H2