(6-oxidanylidene-6$l^{4},7-dithiabicyclo[3.2.1]octan-8-yl) 4-nitrobenzoate

Systemtic Name: (6-oxidanylidene-6$l^{4},7-dithiabicyclo[3.2.1]octan-8-yl) 4-nitrobenzoate Openeye Name: (6-oxo-6$l^{4},7-dithiabicyclo[3.2.1]octan-8-yl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (6-oxo-6$l^{4},7-dithiabicyclo[3.2.1]octan-8-yl) ester IUPAC Name: (6-oxo-6$l^{4},7-dithiabicyclo[3.2.1]octan-8-yl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (6-keto-6$l^{4},7-dithiabicyclo[3.2.1]octan-8-yl) ester Formula: C13H13NO5S2 MolecularWeight: 327.37602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1)S(=O)S2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2C(C(C1)S(=O)S2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO5S2/c15-13(8-4-6-9(7-5-8)14(16)17)19-12-10-2-1-3-11(12)21(18)20-10/h4-7,10-12H,1-3H2