6,7-dithiabicyclo[3.2.1]octan-8-yl 4-nitrobenzoate

Systemtic Name: 6,7-dithiabicyclo[3.2.1]octan-8-yl 4-nitrobenzoate Openeye Name: 6,7-dithiabicyclo[3.2.1]octan-8-yl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 6,7-dithiabicyclo[3.2.1]octan-8-yl ester IUPAC Name: 6,7-dithiabicyclo[3.2.1]octan-8-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 6,7-dithiabicyclo[3.2.1]octan-8-yl ester Formula: C13H13NO4S2 MolecularWeight: 311.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1)SS2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2C(C(C1)SS2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13NO4S2/c15-13(8-4-6-9(7-5-8)14(16)17)18-12-10-2-1-3-11(12)20-19-10/h4-7,10-12H,1-3H2