(3-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (3-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (3-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (3-nitrophenyl) ester Formula: C16H13NO4S2 MolecularWeight: 347.40872

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO4S2/c18-15(21-14-3-1-2-13(10-14)17(19)20)11-4-6-12(7-5-11)16-22-8-9-23-16/h1-7,10,16H,8-9H2